 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer01_STD_wB97XD_augccpVDZ.in
 Output=12_L-valine_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-16008.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16009.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=12_L-valine_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.402321000000     -0.324803000000     -0.691175000000
  C                                                 1.066507000000     -0.567672000000      0.007328000000
  C                                                -0.024429000000      0.362752000000     -0.585977000000
  C                                                -1.397283000000     -0.077948000000     -0.093492000000
  O                                                -1.783162000000     -1.252166000000     -0.644037000000
  C                                                 1.193771000000     -0.401333000000      1.521948000000
  N                                                 0.250162000000      1.761590000000     -0.305646000000
  O                                                -2.076243000000      0.515013000000      0.704731000000
  H                                                -0.013738000000      0.217520000000     -1.668707000000
  H                                                 0.746938000000     -1.591919000000     -0.201878000000
  H                                                -2.645686000000     -1.478069000000     -0.261271000000
  H                                                -0.282255000000      2.356926000000     -0.927888000000
  H                                                -0.057810000000      1.989245000000      0.633366000000
  H                                                 1.549661000000      0.599343000000      1.774413000000
  H                                                 0.244241000000     -0.564166000000      2.035583000000
  H                                                 1.915182000000     -1.116450000000      1.920072000000
  H                                                 2.328990000000     -0.520041000000     -1.763324000000
  H                                                 2.720648000000      0.708970000000     -0.556172000000
  H                                                 3.172613000000     -0.981246000000     -0.282025000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526857   0.000000
     3  C    2.524463   1.551722   0.000000
     4  C    3.854238   2.514012   1.523642   0.000000
     5  O    4.287248   3.002236   2.388404   1.353067   0.000000
     6  C    2.522769   1.529032   2.551702   3.070470   3.778563
     7  N    3.022161   2.487938   1.452836   2.478504   3.651252
     8  O    4.765646   3.396389   2.428796   1.204055   2.242319
     9  H    2.662147   2.143023   1.092479   2.117262   2.518092
    10  H    2.141328   1.093148   2.136183   2.627078   2.590819
    11  H    5.195884   3.831624   3.219479   1.883348   0.970304
    12  H    3.801927   3.353664   2.039634   2.805016   3.919035
    13  H    3.627874   2.862488   2.033074   2.568228   3.887846
    14  H    2.767706   2.172085   2.846959   3.554191   4.514941
    15  H    3.485658   2.188596   2.793553   2.732027   3.429879
    16  H    2.771754   2.163330   3.497200   4.013147   4.502313
    17  H    1.092245   2.175164   2.775617   4.107176   4.324188
    18  H    1.090066   2.164146   2.766984   4.217899   4.913052
    19  H    1.091637   2.165745   3.481350   4.662128   4.976360
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.984750   0.000000
     8  O    3.492925   2.826124   0.000000
     9  H    3.467180   2.076471   3.158423   0.000000
    10  H    2.142132   3.391692   3.637506   2.450364   0.000000
    11  H    4.368142   4.345491   2.286876   3.432645   3.395053
    12  H    3.973455   1.012461   3.045732   2.279906   4.144841
    13  H    2.840932   1.014109   2.500505   2.905252   3.764304
    14  H    1.091672   2.714067   3.781337   3.800668   3.058058
    15  H    1.091761   3.300080   2.884517   3.794648   2.513009
    16  H    1.091022   4.001153   4.479978   4.287137   2.468509
    17  H    3.477905   3.413531   5.154484   2.457910   2.467777
    18  H    2.807616   2.697049   4.963634   2.992678   3.052072
    19  H    2.739787   4.008045   5.546437   3.675971   2.502647
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.553830   0.000000
    13  H    4.418115   1.619592   0.000000
    14  H    5.104957   3.707755   2.412007   0.000000
    15  H    3.802951   4.194298   2.928712   1.768074   0.000000
    16  H    5.068584   5.000395   3.897903   1.760332   1.763634
    17  H    5.284069   3.974103   4.211586   3.791564   4.333569
    18  H    5.802383   3.445484   3.282367   2.610528   3.804032
    19  H    5.839509   4.847334   4.483011   3.059603   3.757742
                   16         17         18         19
    16  H    0.000000
    17  H    3.754244   0.000000
    18  H    3.180050   1.766658   0.000000
    19  H    2.539418   1.765972   1.770949   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.40D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9389248           1.4333902           1.3298945
 Leave Link  202 at Fri Aug 13 11:07:38 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.8503088607 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0118545335 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.8384543272 Hartrees.
 Leave Link  301 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:              14.2 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.79D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 11:07:41 2021, MaxMem=  5637144576 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:41 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:42 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.310156811100    
 DIIS: error= 1.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.310156811100     IErMin= 1 ErrMin= 1.97D-03
 ErrMax= 1.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-03 BMatP= 5.50D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.410 Goal=   None    Shift=    0.000
 GapD=    0.410 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.10D-02 MaxDP=1.04D+00              OVMax= 1.58D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.09D-02    CP:  1.07D+00
 E= -402.314798689763     Delta-E=       -0.004641878663 Rises=F Damp=F
 DIIS: error= 3.30D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.314798689763     IErMin= 2 ErrMin= 3.30D-04
 ErrMax= 3.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-04 BMatP= 5.50D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.30D-03
 Coeff-Com: -0.484D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.482D-01 0.105D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.72D-03 MaxDP=1.39D-01 DE=-4.64D-03 OVMax= 5.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.24D-04    CP:  1.08D+00  1.14D+00
 E= -402.314923725072     Delta-E=       -0.000125035309 Rises=F Damp=F
 DIIS: error= 2.94D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.314923725072     IErMin= 3 ErrMin= 2.94D-04
 ErrMax= 2.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.30D-05 BMatP= 1.08D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.94D-03
 Coeff-Com: -0.417D-01 0.508D+00 0.534D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.415D-01 0.506D+00 0.535D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.47D-04 MaxDP=9.98D-03 DE=-1.25D-04 OVMax= 1.33D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.71D-05    CP:  1.08D+00  1.15D+00  1.11D+00
 E= -402.314982020431     Delta-E=       -0.000058295359 Rises=F Damp=F
 DIIS: error= 4.05D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.314982020431     IErMin= 4 ErrMin= 4.05D-05
 ErrMax= 4.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-06 BMatP= 8.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.707D-03-0.458D-01 0.801D-01 0.966D+00
 Coeff:     -0.707D-03-0.458D-01 0.801D-01 0.966D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.22D-04 MaxDP=9.51D-03 DE=-5.83D-05 OVMax= 9.85D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.70D-05    CP:  1.08D+00  1.16D+00  1.23D+00  1.55D+00
 E= -402.314985294458     Delta-E=       -0.000003274027 Rises=F Damp=F
 DIIS: error= 2.86D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.314985294458     IErMin= 5 ErrMin= 2.86D-05
 ErrMax= 2.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.26D-07 BMatP= 2.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.291D-02-0.601D-01-0.869D-02 0.439D+00 0.627D+00
 Coeff:      0.291D-02-0.601D-01-0.869D-02 0.439D+00 0.627D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.46D-05 MaxDP=1.79D-03 DE=-3.27D-06 OVMax= 2.36D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.08D+00  1.16D+00  1.25D+00  1.72D+00  1.20D+00
 E= -402.314985892038     Delta-E=       -0.000000597580 Rises=F Damp=F
 DIIS: error= 9.73D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.314985892038     IErMin= 6 ErrMin= 9.73D-06
 ErrMax= 9.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.55D-08 BMatP= 6.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-02-0.232D-01-0.136D-01 0.934D-01 0.298D+00 0.643D+00
 Coeff:      0.149D-02-0.232D-01-0.136D-01 0.934D-01 0.298D+00 0.643D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.13D-06 MaxDP=7.88D-04 DE=-5.98D-07 OVMax= 1.06D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  1.08D+00  1.16D+00  1.25D+00  1.78D+00  1.28D+00
                    CP:  1.13D+00
 E= -402.314985969357     Delta-E=       -0.000000077320 Rises=F Damp=F
 DIIS: error= 3.34D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.314985969357     IErMin= 7 ErrMin= 3.34D-06
 ErrMax= 3.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.57D-09 BMatP= 8.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-04 0.253D-02-0.295D-02-0.466D-01 0.230D-02 0.240D+00
 Coeff-Com:  0.805D+00
 Coeff:      0.126D-04 0.253D-02-0.295D-02-0.466D-01 0.230D-02 0.240D+00
 Coeff:      0.805D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.34D-06 MaxDP=3.94D-04 DE=-7.73D-08 OVMax= 6.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.26D-06    CP:  1.08D+00  1.16D+00  1.25D+00  1.79D+00  1.31D+00
                    CP:  1.17D+00  1.32D+00
 E= -402.314985981864     Delta-E=       -0.000000012507 Rises=F Damp=F
 DIIS: error= 6.38D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.314985981864     IErMin= 8 ErrMin= 6.38D-07
 ErrMax= 6.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-10 BMatP= 8.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-03 0.246D-02 0.399D-03-0.197D-01-0.245D-01-0.120D-01
 Coeff-Com:  0.198D+00 0.855D+00
 Coeff:     -0.114D-03 0.246D-02 0.399D-03-0.197D-01-0.245D-01-0.120D-01
 Coeff:      0.198D+00 0.855D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.65D-07 MaxDP=4.40D-05 DE=-1.25D-08 OVMax= 2.02D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.89D-07    CP:  1.08D+00  1.16D+00  1.25D+00  1.79D+00  1.31D+00
                    CP:  1.18D+00  1.43D+00  1.15D+00
 E= -402.314985982867     Delta-E=       -0.000000001003 Rises=F Damp=F
 DIIS: error= 2.03D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.314985982867     IErMin= 9 ErrMin= 2.03D-07
 ErrMax= 2.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-11 BMatP= 5.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.271D-04 0.357D-03 0.351D-03-0.413D-03-0.488D-02-0.249D-01
 Coeff-Com: -0.213D-01 0.187D+00 0.864D+00
 Coeff:     -0.271D-04 0.357D-03 0.351D-03-0.413D-03-0.488D-02-0.249D-01
 Coeff:     -0.213D-01 0.187D+00 0.864D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.78D-07 MaxDP=1.72D-05 DE=-1.00D-09 OVMax= 5.75D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.22D-07    CP:  1.08D+00  1.16D+00  1.25D+00  1.79D+00  1.31D+00
                    CP:  1.18D+00  1.45D+00  1.21D+00  1.09D+00
 E= -402.314985982983     Delta-E=       -0.000000000116 Rises=F Damp=F
 DIIS: error= 5.07D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.314985982983     IErMin=10 ErrMin= 5.07D-08
 ErrMax= 5.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-12 BMatP= 4.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.735D-05-0.212D-03 0.119D-04 0.215D-02 0.217D-02-0.425D-02
 Coeff-Com: -0.251D-01-0.570D-01 0.168D+00 0.914D+00
 Coeff:      0.735D-05-0.212D-03 0.119D-04 0.215D-02 0.217D-02-0.425D-02
 Coeff:     -0.251D-01-0.570D-01 0.168D+00 0.914D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=1.16D-05 DE=-1.16D-10 OVMax= 2.07D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.98D-08    CP:  1.08D+00  1.16D+00  1.25D+00  1.79D+00  1.31D+00
                    CP:  1.17D+00  1.45D+00  1.22D+00  1.18D+00  1.23D+00
 E= -402.314985982969     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 2.01D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.314985982983     IErMin=11 ErrMin= 2.01D-08
 ErrMax= 2.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-13 BMatP= 4.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.395D-05-0.805D-04-0.256D-04 0.572D-03 0.975D-03 0.596D-03
 Coeff-Com: -0.477D-02-0.288D-01-0.249D-01 0.216D+00 0.840D+00
 Coeff:      0.395D-05-0.805D-04-0.256D-04 0.572D-03 0.975D-03 0.596D-03
 Coeff:     -0.477D-02-0.288D-01-0.249D-01 0.216D+00 0.840D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.98D-08 MaxDP=1.06D-06 DE= 1.43D-11 OVMax= 5.77D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.18D-08    CP:  1.08D+00  1.16D+00  1.25D+00  1.79D+00  1.31D+00
                    CP:  1.17D+00  1.45D+00  1.21D+00  1.19D+00  1.32D+00
                    CP:  1.04D+00
 E= -402.314985983000     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 5.13D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.314985983000     IErMin=12 ErrMin= 5.13D-09
 ErrMax= 5.13D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-14 BMatP= 3.61D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-06 0.107D-04-0.491D-05-0.149D-03-0.752D-04 0.488D-03
 Coeff-Com:  0.191D-02 0.269D-02-0.188D-01-0.681D-01 0.120D+00 0.962D+00
 Coeff:     -0.208D-06 0.107D-04-0.491D-05-0.149D-03-0.752D-04 0.488D-03
 Coeff:      0.191D-02 0.269D-02-0.188D-01-0.681D-01 0.120D+00 0.962D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.64D-09 MaxDP=7.02D-07 DE=-3.15D-11 OVMax= 1.94D-07

 SCF Done:  E(RwB97XD) =  -402.314985983     A.U. after   12 cycles
            NFock= 12  Conv=0.76D-08     -V/T= 2.0063
 KE= 3.998116208035D+02 PE=-1.754978130988D+03 EE= 5.450130698738D+02
 Leave Link  502 at Fri Aug 13 11:11:36 2021, MaxMem=  5637144576 cpu:            1862.6 elap:             233.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.69524905D+02

 Leave Link  801 at Fri Aug 13 11:11:37 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.55D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.44D-01 5.23D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.19D-02 2.77D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.59D-03 9.24D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.30D-05 1.64D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.15D-06 2.61D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 9.48D-08 3.22D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 1.98D-09 5.43D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 3.82D-11 8.15D-07.
      8 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 6.21D-13 9.21D-08.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 9.19D-15 1.15D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.878449D+02
      2  0.337660D+00  0.773187D+02
      3 -0.275121D+01  0.187703D+01  0.745984D+02
 Isotropic polarizability for W=    0.088559       79.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.705648D+02 -0.254129D+02  0.430891D+01
      2  -0.396318D+02  0.242752D+02 -0.120179D+02
      3  -0.309329D+02  0.113770D+01  0.770899D+01
      4  -0.239671D+02  0.393773D+02 -0.167208D+02
      5   0.112214D+02 -0.192050D+02  0.671262D+02
      6  -0.473735D+01 -0.366353D+00 -0.584064D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.185109D+01  0.353433D+00  0.157222D+00
      2   0.602775D+01 -0.611512D+01  0.338890D+02
      3   0.684240D+01 -0.254521D+02  0.725560D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.248420D+01  0.116516D+02  0.697834D+01
      2  -0.691253D+01 -0.119835D+02  0.980592D+02
      3   0.144585D+01 -0.790092D+02  0.144677D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.508067D-01 -0.100292D+01 -0.696882D+00
      2  -0.100292D+01 -0.293613D+00  0.272018D+00
      3  -0.696882D+00  0.272018D+00 -0.366179D+00
 OR G Eigenvalues:    -1.2806    -0.5958     1.1658  Iso=     0.2369
 Eigenvectors:
   (1)   0.703249   0.617540   0.352258
   (2)   0.061769  -0.546679   0.835061
   (3)   0.708255  -0.565497  -0.422596
 w=    0.088559 a.u., Optical Rotation Beta=      0.2369 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      102.53 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.26D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.75D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.16D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.25D-02 1.79D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.17D-03 4.91D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.74D-05 4.58D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.39D-07 3.74D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.20D-09 4.52D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.49D-11 3.46D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 8.37D-14 2.77D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.88D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.88D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.70D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.878449D+02  0.337660D+00 -0.275121D+01
      2   0.337660D+00  0.773187D+02  0.187703D+01
      3  -0.275121D+01  0.187703D+01  0.745984D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.185109D+01  0.353433D+00  0.157222D+00
      2   0.602775D+01 -0.611512D+01  0.338890D+02
      3   0.684240D+01 -0.254521D+02  0.725560D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.705648D+02 -0.254129D+02  0.430891D+01
      2  -0.396318D+02  0.242752D+02 -0.120179D+02
      3  -0.309329D+02  0.113770D+01  0.770899D+01
      4  -0.239671D+02  0.393773D+02 -0.167208D+02
      5   0.112214D+02 -0.192050D+02  0.671262D+02
      6  -0.473735D+01 -0.366353D+00 -0.584064D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.583583D+00  0.219356D+01 -0.385942D+01  0.348373D+01 -0.397483D+01
      2   0.219356D+01 -0.323634D+01  0.679965D+00 -0.397483D+01 -0.325437D+01
      3  -0.385942D+01  0.679965D+00  0.148055D+01  0.470558D+00 -0.121993D+01
                 6             7             8             9            10 
      1   0.470558D+00 -0.508604D+01  0.976150D+00  0.880028D-01  0.166388D+01
      2  -0.121993D+01  0.976150D+00 -0.141678D+01  0.157963D+01 -0.202165D+01
      3   0.186589D+01  0.880028D-01  0.157963D+01  0.706862D+01  0.413003D+01
                11            12            13            14            15 
      1  -0.202165D+01  0.413003D+01 -0.539649D+01  0.397343D+01  0.445190D-01
      2   0.396701D+01 -0.139182D+00  0.397343D+01  0.457059D+01  0.211635D+01
      3  -0.139182D+00 -0.110356D+01  0.445190D-01  0.211635D+01 -0.847708D+00
                16            17            18            19            20 
      1   0.630877D+01 -0.468279D+00 -0.516517D+00 -0.239387D+01  0.564793D+01
      2  -0.468279D+00  0.245037D+01 -0.224385D+00  0.564793D+01 -0.701190D+00
      3  -0.516517D+00 -0.224385D+00 -0.585239D+01 -0.138341D+01  0.118574D+00
                21            22            23            24            25 
      1  -0.138341D+01  0.561363D+01 -0.105860D+01  0.327700D+00 -0.377752D+01
      2   0.118574D+00 -0.105860D+01 -0.994571D+00 -0.826952D+00 -0.312287D+00
      3  -0.328435D+00  0.327700D+00 -0.826952D+00  0.169221D+01 -0.428214D+00
                26            27            28            29            30 
      1  -0.312287D+00 -0.428214D+00 -0.881478D-01 -0.383431D+01 -0.742680D+00
      2  -0.205847D+01  0.119866D+01 -0.383431D+01  0.625105D+00  0.154208D+01
      3   0.119866D+01  0.620548D+01 -0.742680D+00  0.154208D+01  0.629748D+00
                31            32            33            34            35 
      1  -0.375180D+01 -0.867270D-01  0.194254D+01 -0.378961D+01  0.195744D+01
      2  -0.867270D-01 -0.542402D+00  0.662261D+00  0.195744D+01  0.350223D+00
      3   0.194254D+01  0.662261D+00 -0.139288D+01  0.144950D+01 -0.103084D+01
                36            37            38            39            40 
      1   0.144950D+01  0.586575D+01  0.203957D+01 -0.172845D+01  0.822818D+00
      2  -0.103084D+01  0.203957D+01  0.192134D+01 -0.747505D+00  0.453263D+00
      3  -0.262718D+01 -0.172845D+01 -0.747505D+00  0.423525D+00 -0.119073D+01
                41            42            43            44            45 
      1   0.453263D+00 -0.119073D+01 -0.308113D+01 -0.184168D+01 -0.845791D+00
      2  -0.394287D+01 -0.169573D+01 -0.184168D+01 -0.247528D+01 -0.163067D+01
      3  -0.169573D+01 -0.807227D+00 -0.845791D+00 -0.163067D+01 -0.250748D+01
                46            47            48            49            50 
      1   0.118875D+01  0.244987D+01 -0.467068D+01  0.269727D+01 -0.378691D+01
      2   0.244987D+01 -0.351654D+01  0.527856D+00 -0.378691D+01 -0.262618D+01
      3  -0.467068D+01  0.527856D+00  0.933980D+00  0.574167D+00 -0.311277D+01
                51            52            53            54            55 
      1   0.574167D+00 -0.382104D+01  0.318192D+00  0.776140D+00  0.173514D+01
      2  -0.311277D+01  0.318192D+00 -0.232943D+01  0.602851D+00 -0.142093D+01
      3   0.142500D+01  0.776140D+00  0.602851D+00  0.379486D+01  0.860251D+00
                56            57            58            59            60 
      1  -0.142093D+01  0.860251D+00 -0.913310D+00  0.270645D+01 -0.881348D+00
      2   0.368605D+01 -0.766536D+00  0.270645D+01  0.147914D+01  0.890252D+00
      3  -0.766536D+00  0.245756D+01 -0.881348D+00  0.890252D+00 -0.169836D+01
                61            62            63            64            65 
      1   0.121888D+01 -0.131446D+01  0.256516D+01 -0.681783D+01  0.263818D+01
      2  -0.131446D+01  0.107931D+01 -0.168912D+01  0.263818D+01 -0.241622D+01
      3   0.256516D+01 -0.168912D+01 -0.239813D+01  0.279880D+01 -0.123213D+01
                66            67            68            69            70 
      1   0.279880D+01  0.394632D+01 -0.225722D+01 -0.110909D+01  0.551629D+01
      2  -0.123213D+01 -0.225722D+01  0.417409D+01  0.166063D+01 -0.989691D+00
      3  -0.191719D+01 -0.110909D+01  0.166063D+01  0.185651D+01 -0.293261D+01
                71            72            73            74            75 
      1  -0.989691D+00 -0.293261D+01  0.509169D+00 -0.682836D+00 -0.995772D+00
      2   0.223309D+01  0.203547D+01 -0.682836D+00  0.240771D+00 -0.685856D-01
      3   0.203547D+01  0.565494D+01 -0.995772D+00 -0.685856D-01  0.171586D+00
                76            77            78            79            80 
      1  -0.129308D+01  0.278253D+00 -0.189220D-02 -0.135687D+01  0.354898D-01
      2   0.278253D+00  0.106854D+00 -0.108032D+01  0.354898D-01 -0.121424D+01
      3  -0.189220D-02 -0.108032D+01 -0.726257D+00  0.541330D-01 -0.266476D+00
                81            82            83            84            85 
      1   0.541330D-01 -0.138378D+01 -0.104298D+01 -0.849856D+00 -0.124398D+01
      2  -0.266476D+00 -0.104298D+01 -0.147704D+01  0.336442D-02 -0.130893D+01
      3  -0.847939D+01 -0.849856D+00  0.336442D-02 -0.256829D+00 -0.485984D-01
                86            87            88            89            90 
      1  -0.130893D+01 -0.485984D-01 -0.117057D+01 -0.453958D-01 -0.968921D-01
      2  -0.733910D+01 -0.114112D+01 -0.453958D-01 -0.111697D+01 -0.121761D+01
      3  -0.114112D+01 -0.145728D+01 -0.968921D-01 -0.121761D+01 -0.688033D-01
                91            92            93            94            95 
      1  -0.812688D+01 -0.430437D+01  0.389551D+00 -0.230247D+01 -0.208442D+01
      2  -0.430437D+01 -0.360911D+01  0.648927D-01 -0.208442D+01 -0.261293D+01
      3   0.389551D+00  0.648927D-01 -0.110810D+01  0.185213D+00  0.239903D-01
                96            97            98            99           100 
      1   0.185213D+00  0.256180D+01  0.148503D+01 -0.106942D+01 -0.943858D+00
      2   0.239903D-01  0.148503D+01  0.122773D+01 -0.647460D+00  0.183726D+01
      3  -0.568185D+00 -0.106942D+01 -0.647460D+00  0.360999D+00 -0.104432D+01
               101           102           103           104           105 
      1   0.183726D+01 -0.104432D+01  0.179687D+01 -0.224120D+01  0.111041D+01
      2  -0.256360D+01  0.135028D+01 -0.224120D+01  0.504731D+01 -0.199359D+01
      3   0.135028D+01 -0.121764D+01  0.111041D+01 -0.199359D+01  0.168991D+01
               106           107           108           109           110 
      1  -0.186554D+01  0.163803D+01 -0.144654D+01 -0.135749D+00  0.609260D+00
      2   0.163803D+01 -0.336359D+01  0.230059D+01  0.609260D+00 -0.648334D+00
      3  -0.144654D+01  0.230059D+01 -0.239035D+01  0.271696D+00 -0.462218D+00
               111           112           113           114           115 
      1   0.271696D+00  0.660173D+00 -0.324094D+00 -0.459671D+00  0.133868D+01
      2  -0.462218D+00 -0.324094D+00  0.176682D+01  0.978667D+00 -0.362648D+00
      3  -0.925277D+00 -0.459671D+00  0.978667D+00  0.121320D+01 -0.822510D+00
               116           117           118           119           120 
      1  -0.362648D+00 -0.822510D+00  0.123235D+01  0.865735D+00  0.112955D+01
      2   0.251525D+01  0.159465D+01  0.865735D+00  0.175857D+01  0.488835D+00
      3   0.159465D+01  0.444821D+01  0.112955D+01  0.488835D+00  0.973316D+00
               121           122           123           124           125 
      1   0.155709D+01  0.161220D+01  0.845510D+00  0.832517D+00  0.327828D+00
      2   0.161220D+01  0.501637D+01  0.193505D+01  0.327828D+00  0.139727D+01
      3   0.845510D+00  0.193505D+01  0.267400D+01  0.447800D+00  0.111215D+01
               126           127           128           129           130 
      1   0.447800D+00 -0.478554D+01 -0.851078D+00  0.249166D+01 -0.899132D+00
      2   0.111215D+01 -0.851078D+00 -0.826890D+00  0.627500D+00 -0.381640D+00
      3   0.111388D+01  0.249166D+01  0.627500D+00 -0.357789D+01  0.340309D+00
               131           132           133           134           135 
      1  -0.381640D+00  0.340309D+00  0.225126D+01  0.315537D+00 -0.199451D+01
      2  -0.390650D+00  0.105817D+01  0.315537D+00  0.864383D+00 -0.583282D+00
      3   0.105817D+01 -0.861793D+00 -0.199451D+01 -0.583282D+00  0.299813D+01
               136           137           138           139           140 
      1   0.371992D+01 -0.231418D+01  0.253244D+01 -0.272983D+01  0.247142D+01
      2  -0.231418D+01  0.241007D+01 -0.137370D+01  0.247142D+01 -0.305812D+01
      3   0.253244D+01 -0.137370D+01  0.238583D+01 -0.152423D+01  0.222668D+01
               141           142           143           144           145 
      1  -0.152423D+01  0.159008D+01 -0.973555D+00  0.158547D+01  0.317933D-01
      2   0.222668D+01 -0.973555D+00  0.151714D+01 -0.157741D+01 -0.284659D+00
      3  -0.255372D+01  0.158547D+01 -0.157741D+01  0.220465D+01 -0.604373D+00
               146           147           148           149           150 
      1  -0.284659D+00 -0.604373D+00 -0.729542D+00  0.682976D+00  0.190671D+00
      2   0.197638D+00 -0.191987D-01  0.682976D+00 -0.366447D+00 -0.109137D+01
      3  -0.191987D-01 -0.349956D+00  0.190671D+00 -0.109137D+01 -0.143618D+01
               151           152           153           154           155 
      1  -0.175507D+01  0.213884D+00  0.167533D+01  0.163946D+01  0.137848D+01
      2   0.213884D+00 -0.130455D+01 -0.119529D+01  0.137848D+01  0.184517D+01
      3   0.167533D+01 -0.119529D+01 -0.946553D+01  0.261257D+00 -0.135237D+00
               156           157           158           159           160 
      1   0.261257D+00  0.315414D+01  0.226310D+01 -0.453109D+00  0.941696D+00
      2  -0.135237D+00  0.226310D+01  0.551907D+01  0.381045D-01  0.702257D-01
      3   0.315278D+00 -0.453109D+00  0.381045D-01  0.122830D+01  0.441107D+00
               161           162           163           164           165 
      1   0.702257D-01  0.441107D+00  0.650586D+01 -0.290285D+01  0.101373D+01
      2   0.541360D+00  0.544544D+00 -0.290285D+01  0.234352D+01 -0.459052D+00
      3   0.544544D+00 -0.475484D+00  0.101373D+01 -0.459052D+00  0.101348D+01
               166           167           168           169           170 
      1  -0.447240D+01  0.306348D+01 -0.362922D+00  0.314342D+01 -0.102981D+01
      2   0.306348D+01 -0.255260D+01  0.571630D+00 -0.102981D+01  0.110319D+01
      3  -0.362922D+00  0.571630D+00 -0.129541D+01  0.107038D+01 -0.906002D+00
               171 
      1   0.107038D+01
      2  -0.906002D+00
      3   0.414976D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356213D+01  0.295867D+01  0.588071D-01  0.410192D+01  0.243125D+01
      2  -0.971185D+01  0.376977D+01  0.151589D+01  0.451807D+01 -0.664490D+01
      3  -0.608339D+01  0.622053D+01 -0.165805D+00  0.136596D+02  0.116575D+02
                 6             7             8             9            10 
      1  -0.685594D+00  0.409985D+00  0.287203D+01  0.516641D-02  0.404312D+01
      2   0.527066D+01 -0.812991D+01  0.541473D+01  0.204883D+02  0.780376D+01
      3   0.180436D+01 -0.175510D+01  0.341776D+01 -0.492897D+01  0.201021D+01
                11            12            13            14            15 
      1  -0.686670D+00 -0.481866D+00 -0.716486D+00  0.269575D+01 -0.483012D+01
      2  -0.141865D+01  0.319600D+01 -0.447312D+01  0.280929D+01 -0.118440D+01
      3  -0.497658D+01 -0.150305D+01  0.799160D+00 -0.105663D+02 -0.249391D+01
                16            17            18            19            20 
      1  -0.142039D+01  0.165476D+01 -0.297643D+01 -0.496957D+01 -0.168931D+00
      2  -0.286049D+01  0.156890D-01 -0.582970D+01 -0.141331D+01  0.216219D+01
      3  -0.328766D-01 -0.185548D+01  0.115097D+01  0.418045D+01 -0.343284D+01
                21            22            23            24            25 
      1  -0.129676D+01  0.648579D+00  0.239971D+01  0.818820D+00 -0.964772D+00
      2   0.163293D+01  0.462639D+01 -0.167543D+01  0.156187D+01 -0.839803D+01
      3   0.132855D+01  0.167623D+01  0.785653D+00  0.803172D+00 -0.150551D+01
                26            27            28            29            30 
      1   0.486762D+01 -0.285436D+01  0.297135D+01  0.374324D+01  0.120176D+01
      2  -0.609088D+00 -0.176636D+01 -0.728274D+01 -0.267413D+01 -0.512482D+01
      3   0.615606D+00  0.127669D+00 -0.759937D+01  0.250059D+01 -0.143357D+01
                31            32            33            34            35 
      1   0.866234D+00 -0.763858D+01  0.279320D+00  0.118999D+01  0.366714D+01
      2   0.294120D+01  0.254672D+01  0.340967D+00 -0.125450D+02 -0.710155D+00
      3   0.455117D+01  0.296111D+01 -0.281614D+01 -0.718994D+01 -0.852398D+01
                36            37            38            39            40 
      1   0.686125D+01 -0.318770D+01 -0.908774D+00 -0.447104D+00 -0.360934D+00
      2   0.884979D+01  0.631392D+01  0.316011D+01  0.716547D+00 -0.201886D+01
      3  -0.188912D+01 -0.164687D+01 -0.514161D+00  0.703141D+00  0.565081D+01
                41            42            43            44            45 
      1   0.219236D+01 -0.493976D+01  0.215691D+01  0.316750D+01 -0.309921D+01
      2   0.259755D+01  0.198352D+01 -0.385807D+01  0.218479D+01  0.510238D+01
      3  -0.821888D+01 -0.193376D+01  0.254816D+01 -0.134389D+01 -0.299545D+01
                46            47            48            49            50 
      1   0.222473D+01 -0.664683D+01  0.175693D+01 -0.696351D+01 -0.659428D+01
      2  -0.104206D+02 -0.408390D+01  0.139152D+02 -0.269341D+01  0.256562D+01
      3  -0.419720D+01  0.184065D+01  0.918723D+00  0.591903D+01  0.551622D+01
                51            52            53            54            55 
      1  -0.914915D+01  0.113637D+01 -0.275225D+01  0.465392D+01 -0.653286D+00
      2   0.399490D+00  0.700272D+01  0.349734D+00  0.261850D+01  0.155944D+01
      3   0.394391D+01  0.108751D+01  0.294747D+01 -0.113375D+01  0.513185D+01
                56            57            58            59            60 
      1   0.112055D+01 -0.671573D+01  0.701007D+00 -0.484821D+01 -0.871200D+00
      2  -0.139833D+00  0.472820D+01 -0.568615D+00  0.150799D+01 -0.565422D+00
      3  -0.928616D+01  0.172875D+01  0.285440D+01  0.692095D+01 -0.224031D+01
                61            62            63            64            65 
      1  -0.550756D+01  0.877121D+01  0.591444D+01 -0.985158D+00 -0.312166D+01
      2   0.369535D+00 -0.382053D+00  0.136589D+00 -0.102396D+01  0.255768D+01
      3   0.145175D+01 -0.304440D+01  0.730441D+01  0.218462D+01 -0.947227D+01
                66            67            68            69            70 
      1   0.160669D+01  0.513741D+00  0.240993D+01 -0.345045D+01 -0.313432D+00
      2   0.974024D+01  0.826058D+00 -0.492389D+01 -0.363452D+01  0.271008D+01
      3  -0.868347D+00  0.600607D-01  0.723888D+01  0.376926D+01  0.460807D+01
                71            72            73            74            75 
      1   0.417365D+01 -0.255893D+01  0.856187D+00 -0.254467D+00  0.276452D+00
      2  -0.337078D+01 -0.130027D+02  0.787506D+00 -0.398769D+00  0.704412D-02
      3   0.772019D+01  0.357920D+01  0.173308D+00 -0.645444D+00 -0.558580D+00
                76            77            78            79            80 
      1  -0.252402D+00  0.123592D+00  0.204337D+00 -0.111195D-01  0.383240D+01
      2  -0.131339D+01  0.257993D+00 -0.111568D+00 -0.373614D+01  0.176244D+00
      3   0.143457D+01 -0.294228D-01 -0.336104D+00  0.395454D+00 -0.983922D-01
                81            82            83            84            85 
      1   0.225764D+01 -0.126624D+01  0.134701D+00 -0.627524D+00 -0.140697D+00
      2   0.699312D+00 -0.127872D+01 -0.159711D+00  0.327031D+00 -0.288421D+00
      3  -0.138987D+00  0.373254D+01  0.159387D+01  0.912528D+00  0.620497D+01
                86            87            88            89            90 
      1  -0.178237D+00 -0.378045D+01 -0.111874D+00  0.321551D+00 -0.127500D+00
      2  -0.966959D+00 -0.107652D+01 -0.170307D+01 -0.128484D+01  0.179755D-01
      3   0.857257D+01  0.142823D+01  0.150870D+01  0.129237D+01  0.149259D+01
                91            92            93            94            95 
      1   0.365523D+01  0.221659D+01 -0.200740D+01  0.197167D+01  0.189751D+01
      2  -0.533551D+01 -0.306714D+01  0.381492D+01 -0.233973D+01 -0.194268D+01
      3   0.262792D+01 -0.352785D+01 -0.650993D+00  0.413629D+00 -0.201251D+01
                96            97            98            99           100 
      1  -0.964233D+00 -0.181184D+01 -0.753354D+00  0.118834D+01  0.113508D+01
      2   0.147554D+01  0.291822D+01  0.182364D+01 -0.227302D+01 -0.156222D+01
      3   0.763779D-01 -0.709974D-01  0.169976D+01 -0.224038D+00 -0.356799D+01
               101           102           103           104           105 
      1  -0.172994D+01  0.335477D+01 -0.183349D+01  0.191158D+01 -0.399009D+01
      2   0.942944D+00  0.873502D-01  0.145572D+01 -0.132241D+01  0.288719D+00
      3   0.326456D+01 -0.247318D+01  0.653308D+01 -0.537017D+01  0.326362D+01
               106           107           108           109           110 
      1   0.255770D+01 -0.228523D+01  0.410358D+01 -0.852257D+00  0.813466D+00
      2  -0.230251D+01  0.109765D+01 -0.724079D+00  0.939756D+00  0.105158D+00
      3  -0.511898D+01  0.421158D+01 -0.395586D+01 -0.961616D+00  0.198335D+00
               111           112           113           114           115 
      1   0.279764D+01  0.116050D+01 -0.254992D+01 -0.352628D+01  0.237240D+01
      2  -0.401152D+00  0.245361D-01  0.188362D+00  0.240234D+00 -0.264191D+01
      3   0.101830D+01  0.179404D+01 -0.103490D+01 -0.131364D+01  0.407838D+01
               116           117           118           119           120 
      1  -0.293523D+01 -0.121752D+02  0.196244D+01  0.384273D+01  0.638693D+00
      2   0.399291D+00  0.828257D+00 -0.267010D+00 -0.779779D+00  0.661007D+00
      3  -0.136235D+01 -0.286487D+01 -0.666744D+00 -0.354503D+01 -0.889722D+00
               121           122           123           124           125 
      1   0.301915D+01  0.124887D+02  0.189222D+01  0.106585D+01  0.416557D+01
      2  -0.275005D+01 -0.257803D+00  0.298373D+01 -0.193959D+01  0.749071D+00
      3  -0.350323D+00 -0.835506D+01 -0.239752D+01 -0.242752D+00 -0.184486D+01
               126           127           128           129           130 
      1   0.227703D+01  0.941793D-01 -0.246006D+01 -0.120655D+01 -0.698809D+00
      2   0.536560D+00  0.156580D+02  0.217292D+01 -0.650362D+01  0.199417D+01
      3  -0.164892D+01  0.382546D+01 -0.446283D+00 -0.149037D+01  0.189482D+01
               131           132           133           134           135 
      1   0.135734D+00  0.526167D+00 -0.516850D+00  0.268064D+01  0.513771D+00
      2   0.177414D+01 -0.128409D+01 -0.901047D+01 -0.130465D+01  0.622358D+01
      3   0.274466D+00 -0.126650D+01 -0.141309D+01 -0.154895D+00  0.155330D+01
               136           137           138           139           140 
      1  -0.272233D+01  0.476193D+01 -0.949570D-01  0.358968D+01 -0.473437D+01
      2  -0.367277D+01  0.218170D+01  0.119604D+01  0.365612D+01 -0.122012D+01
      3   0.364533D+00 -0.377032D+01  0.711991D+00 -0.203538D+00  0.353307D+01
               141           142           143           144           145 
      1   0.480092D+00 -0.124072D+01  0.320695D+01 -0.114804D+01 -0.570798D-01
      2  -0.184105D+01 -0.291619D+01  0.173429D-01  0.657987D+00 -0.214972D+01
      3  -0.219120D+01 -0.196347D+00 -0.213375D+01  0.127138D+01  0.981762D+00
               146           147           148           149           150 
      1  -0.337630D-01 -0.851976D-01 -0.395789D+00  0.109633D+00 -0.562194D+00
      2  -0.310697D+00 -0.795919D-01 -0.599346D+00 -0.183843D+01 -0.363428D+01
      3  -0.110110D+01  0.324288D+00 -0.480331D+00  0.368732D+00  0.240616D+01
               151           152           153           154           155 
      1   0.322992D+00  0.380204D+01 -0.263411D+01 -0.123161D+01 -0.179926D+01
      2  -0.117630D+01 -0.293803D+01 -0.233646D+02  0.197606D+01  0.851666D+00
      3   0.616496D+00  0.361640D+01  0.262547D+01 -0.443752D+01 -0.589000D+01
               156           157           158           159           160 
      1  -0.537061D+00 -0.174766D+01 -0.491213D+01 -0.202631D+01 -0.155265D+00
      2   0.189898D+01  0.117427D+01  0.252246D+01  0.401867D+01  0.458782D+00
      3   0.367067D+00 -0.362724D+01 -0.185279D+02 -0.347426D+00  0.110113D+00
               161           162           163           164           165 
      1   0.592449D+00 -0.609993D+00  0.254505D+01 -0.178152D+01  0.180843D+01
      2   0.136863D+01 -0.613255D+00  0.770298D+01 -0.393435D+01  0.597490D+01
      3  -0.180235D+01 -0.134025D+01  0.377889D+01 -0.767148D+01  0.108173D+01
               166           167           168           169           170 
      1  -0.208577D+01  0.172286D+01 -0.272823D+01  0.101078D+01 -0.388442D+00
      2  -0.417160D+01  0.402248D+01 -0.523157D+01  0.383225D+01 -0.316504D+01
      3  -0.485810D+01  0.645391D+01 -0.153596D+01  0.112096D+01 -0.335678D+01
               171 
      1   0.134714D+01
      2   0.279187D+01
      3   0.201522D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.916094D+00  0.123195D+02 -0.196913D+02  0.147491D+02 -0.245402D+02
      2  -0.780385D+01 -0.294846D+01  0.943003D+01 -0.538064D+01  0.929746D+01
      3   0.688775D+01 -0.937099D+01  0.102613D+02 -0.936845D+01  0.152428D+02
      4   0.164296D+02 -0.198944D+02  0.599567D+01 -0.280847D+02 -0.146192D+02
      5  -0.219767D+02  0.263698D+01  0.856436D+01  0.186647D+01 -0.381824D+01
      6   0.142174D+01  0.221737D+01 -0.108226D+01  0.279550D+01  0.580843D+01
                 6             7             8             9            10 
      1   0.460481D+01 -0.239775D+02  0.747442D+01  0.148786D+02 -0.109204D+02
      2   0.162136D+01  0.872054D+01  0.328674D+00  0.602762D+01  0.134174D+01
      3  -0.622617D+01  0.152569D+02 -0.780309D+01 -0.209062D+02  0.957868D+01
      4  -0.588289D+01  0.884732D+01 -0.853985D+01  0.836358D+01 -0.295066D+01
      5   0.722395D+01  0.415629D+01  0.729595D+01  0.283566D+02  0.165952D+02
      6  -0.534757D+00  0.565617D+00 -0.701698D+00 -0.107003D+02 -0.445354D+01
                11            12            13            14            15 
      1  -0.807404D+00  0.134042D+02 -0.156796D+01  0.170988D+02  0.269747D+01
      2  -0.166935D+01 -0.856051D+01 -0.929353D+00 -0.218306D+02 -0.387454D+01
      3   0.247675D+01 -0.484365D+01  0.249731D+01  0.473177D+01  0.117707D+01
      4   0.734418D+01 -0.358303D+01  0.160321D+02  0.413484D+01  0.347859D+01
      5  -0.682360D+00 -0.387749D+01 -0.352473D+00  0.377969D+01 -0.204765D+01
      6   0.417405D+00  0.136513D+01  0.458595D+00 -0.578791D+01  0.438811D+01
                16            17            18            19            20 
      1   0.174523D+02  0.107490D+00  0.954778D+00 -0.954193D+01 -0.597888D+01
      2  -0.794024D+01 -0.112612D+01  0.257806D+01  0.130173D+02  0.153413D+01
      3  -0.951205D+01  0.101863D+01 -0.353284D+01 -0.347542D+01  0.444475D+01
      4  -0.529575D+01  0.351622D+01 -0.595885D+00 -0.404212D+01 -0.173083D+01
      5  -0.334837D+01 -0.254170D+00 -0.143291D+02 -0.426178D+01 -0.152657D+01
      6  -0.141307D+00 -0.115812D+01  0.254120D+01 -0.207641D-01 -0.886455D+00
                21            22            23            24            25 
      1  -0.668893D+00  0.601407D+00  0.262763D+00  0.121170D+01 -0.590855D+01
      2   0.181938D+01 -0.283516D+01 -0.620110D+01  0.208098D+00  0.195315D+01
      3  -0.115049D+01  0.223376D+01  0.593833D+01 -0.141979D+01  0.395539D+01
      4   0.922821D+00 -0.139862D+02 -0.233263D+01 -0.295278D+00  0.356637D+01
      5   0.153978D+01  0.226129D+01  0.652891D+00  0.230787D+01  0.218090D+01
      6  -0.171340D-01  0.172221D+00  0.354717D+01 -0.365923D+01 -0.314415D+00
                26            27            28            29            30 
      1   0.504216D+01  0.103743D+02 -0.431039D+01  0.115940D+02  0.630906D+00
      2  -0.311549D+01  0.123492D+02  0.320709D+00 -0.650346D+01 -0.487837D+01
      3  -0.192667D+01 -0.227235D+02  0.398968D+01 -0.509055D+01  0.424746D+01
      4  -0.588415D+00 -0.117061D+01  0.130267D+02 -0.716571D+01 -0.738796D+01
      5  -0.527424D+00 -0.420920D+00  0.776891D+01 -0.689858D+01 -0.109383D+02
      6   0.311195D+01  0.990669D+00 -0.378061D+01  0.666378D+00 -0.137626D+01
                31            32            33            34            35 
      1   0.177573D+02  0.523431D+01 -0.455812D+01  0.138599D+02 -0.431288D+01
      2  -0.103429D+02 -0.858952D+01  0.907029D+01 -0.822998D+01 -0.193099D+01
      3  -0.741440D+01  0.335521D+01 -0.451217D+01 -0.562992D+01  0.624387D+01
      4  -0.507787D+01 -0.175127D+01 -0.151524D+01 -0.111582D+02  0.649008D+01
      5  -0.158761D+02 -0.102726D+01 -0.185627D+01 -0.913883D+01  0.326964D+00
      6  -0.393916D+01 -0.682095D+01 -0.276185D+01 -0.198091D+01 -0.964651D+00
                36            37            38            39            40 
      1  -0.738650D+01 -0.197123D+02 -0.848553D+01  0.699035D+01 -0.867157D+01
      2   0.435380D+01  0.517245D+01  0.248970D+01 -0.376573D+01  0.428485D+01
      3   0.303269D+01  0.145398D+02  0.599582D+01 -0.322463D+01  0.438672D+01
      4   0.233754D+01 -0.163326D+02 -0.576988D+01  0.640005D+01  0.449010D+01
      5   0.148173D+02  0.681115D+01  0.380942D+01  0.634474D+01  0.777115D+01
      6  -0.582431D+01  0.532613D+01  0.255427D+01  0.121296D+01  0.538438D+01
                41            42            43            44            45 
      1  -0.179169D+02 -0.685439D+00  0.112026D+02  0.169490D+01 -0.444625D+01
      2   0.232797D+02 -0.317294D-01 -0.410518D+01  0.198756D+01 -0.276300D+01
      3  -0.536273D+01  0.717168D+00 -0.709747D+01 -0.368246D+01  0.720926D+01
      4   0.154674D+02  0.730140D+01  0.134396D+02  0.106848D+02  0.560728D+01
      5   0.766403D+01  0.774001D+01  0.100281D+02  0.859495D+01  0.128703D+02
      6   0.916838D+01  0.100806D+02  0.284037D+01  0.102510D+02  0.881103D+01
                46            47            48            49            50 
      1   0.123765D+02  0.483728D+01 -0.126060D+02  0.394667D+01 -0.628121D+01
      2   0.121993D+01 -0.658927D+00  0.258462D+01 -0.111937D+01  0.975207D+01
      3  -0.135964D+02 -0.417835D+01  0.100213D+02 -0.282730D+01 -0.347086D+01
      4   0.494566D+01 -0.136974D+02  0.826977D+01 -0.155836D+02 -0.376027D+01
      5  -0.637548D+01  0.898558D+01 -0.118928D+02  0.768098D+01 -0.197488D+02
      6   0.132452D+02 -0.130131D+02  0.860455D-01 -0.143230D+02 -0.615281D+01
                51            52            53            54            55 
      1   0.561000D+00 -0.111226D+02 -0.112140D+01 -0.700340D+01  0.113032D+02
      2  -0.537205D+00  0.166970D+01  0.813856D-01 -0.749271D+01 -0.836218D+01
      3  -0.237943D-01  0.945289D+01  0.104001D+01  0.144961D+02 -0.294107D+01
      4  -0.119145D+02  0.695537D+01 -0.798061D+01  0.202878D+01  0.406964D+01
      5   0.430402D+01 -0.118715D+02  0.231311D+01  0.127768D+02 -0.104674D+01
      6  -0.127691D+02  0.113695D+01 -0.916270D+01  0.275926D+01  0.394398D+01
                56            57            58            59            60 
      1  -0.108669D+02  0.216495D+01 -0.827241D+01 -0.670953D+01 -0.202545D+01
      2   0.165058D+02 -0.256191D+01  0.149145D+02  0.176491D+02  0.424081D+01
      3  -0.563888D+01  0.396955D+00 -0.664208D+01 -0.109396D+02 -0.221536D+01
      4  -0.170377D+01  0.256607D+01  0.756367D+01  0.174359D+02 -0.299998D+01
      5   0.206260D+01  0.178311D+01  0.579954D+00 -0.337252D+01  0.138365D+01
      6  -0.674290D+01  0.117676D+02 -0.604032D+01  0.447098D+01 -0.272683D+01
                61            62            63            64            65 
      1   0.398752D+01 -0.794651D+00  0.460270D+01  0.380053D+02 -0.975603D+01
      2  -0.345107D+01  0.394279D+01 -0.102173D+02 -0.203933D+02  0.313271D+01
      3  -0.536450D+00 -0.314813D+01  0.561458D+01 -0.176120D+02  0.662332D+01
      4   0.315417D+01 -0.214122D+01  0.103249D+02 -0.171423D+02  0.190397D+02
      5   0.429073D+01  0.369391D+01 -0.256512D+01 -0.171179D+02  0.730546D+01
      6   0.118915D+02 -0.652099D+01 -0.764105D+01  0.264911D+01 -0.229279D+01
                66            67            68            69            70 
      1  -0.922757D+01 -0.146495D+02  0.252130D+01  0.150119D+01 -0.141832D+02
      2   0.987699D+01  0.615252D+01  0.486115D+01 -0.294815D+01  0.990925D+01
      3  -0.649415D+00  0.849693D+01 -0.738244D+01  0.144696D+01  0.427392D+01
      4   0.740396D+01  0.177787D+02 -0.171927D+02 -0.842035D+01  0.647448D+01
      5   0.187283D+02  0.781555D+01 -0.855379D+01 -0.717419D+01  0.209664D+02
      6  -0.263011D+01 -0.365441D+01  0.327019D+01  0.748689D+01 -0.243946D+01
                71            72            73            74            75 
      1   0.463834D+00  0.372523D+01  0.555515D+00  0.354267D+00  0.123624D+00
      2  -0.385513D+00 -0.145027D+02 -0.420466D+01  0.339875D+00 -0.201477D+00
      3  -0.783211D-01  0.107775D+02  0.364914D+01 -0.694143D+00  0.778535D-01
      4  -0.119114D+02 -0.998910D+01  0.570389D-01  0.147035D+01 -0.664811D+00
      5  -0.829951D+01 -0.275411D+02  0.109105D+00  0.434878D-01  0.593183D+01
      6   0.695962D+01  0.492687D+01 -0.450389D+00  0.488699D-01 -0.507815D-01
                76            77            78            79            80 
      1   0.977957D+00 -0.387995D+01 -0.128848D+01  0.825376D+00  0.510862D+00
      2   0.304369D+00  0.400348D+00 -0.174378D+01  0.767314D-01 -0.237037D+01
      3  -0.128233D+01  0.347960D+01  0.303226D+01 -0.902108D+00  0.185951D+01
      4   0.235739D+01 -0.209575D+00  0.973023D-01 -0.425521D+00  0.223434D+00
      5   0.399526D-01 -0.228506D+00 -0.215283D+00  0.523772D+01  0.228319D+00
      6   0.179494D+00  0.493530D+00  0.634128D+01  0.125469D+00  0.481865D+01
                81            82            83            84            85 
      1  -0.198243D+02 -0.323568D+00 -0.346161D+01 -0.205055D+01 -0.545881D+01
      2  -0.165398D+02  0.405566D+01  0.474377D+01  0.179531D+01  0.617039D+01
      3   0.363642D+02 -0.373210D+01 -0.128216D+01  0.255238D+00 -0.711577D+00
      4   0.593782D+00  0.883063D+00  0.390870D+01  0.821033D+00  0.292487D+01
      5   0.122398D+01 -0.140285D+01  0.573420D+00  0.123838D+01  0.110079D+01
      6  -0.317159D+01  0.127908D+01  0.997488D+00  0.732489D+00  0.756633D+00
                86            87            88            89            90 
      1  -0.193411D+02 -0.141865D+01 -0.319327D+01 -0.237496D+01 -0.423561D+01
      2   0.320310D+02  0.404597D+01  0.194928D+01  0.296405D+01  0.268371D+01
      3  -0.126899D+02 -0.262732D+01  0.124398D+01 -0.589094D+00  0.155190D+01
      4  -0.892056D+01 -0.162531D+01  0.394286D+00 -0.153170D+01 -0.959738D+00
      5  -0.163828D+01 -0.293009D+01  0.238921D+01 -0.150169D+01  0.715075D+00
      6   0.549410D+01  0.556843D+01  0.144723D+01  0.734480D+01  0.276503D+01
                91            92            93            94            95 
      1   0.386280D+02  0.165133D+02 -0.270247D+01  0.633784D+01  0.512813D+01
      2  -0.138610D+02 -0.346701D+01  0.287082D+00  0.102400D+01  0.258887D+01
      3  -0.247670D+02 -0.130463D+02  0.241539D+01 -0.736184D+01 -0.771700D+01
      4   0.304464D+02  0.210700D+02 -0.134580D+01  0.136765D+02  0.134832D+02
      5   0.190818D+01  0.138736D+01  0.520537D+01  0.389436D+00  0.727051D+00
      6  -0.122488D+01  0.204218D+00  0.259964D+01  0.322552D+00  0.281550D+00
                96            97            98            99           100 
      1  -0.530414D+00 -0.105899D+02 -0.508281D+01  0.342311D+01 -0.206328D+01
      2  -0.317998D+00  0.333662D+01  0.319269D+00 -0.145919D+01  0.522664D+01
      3   0.848413D+00  0.725327D+01  0.476354D+01 -0.196391D+01 -0.316336D+01
      4  -0.756828D+00 -0.100910D+02 -0.749259D+01  0.464119D+01 -0.543285D+01
      5   0.196299D+01  0.595260D+01  0.321781D+01 -0.209784D+01  0.286777D+01
      6   0.192271D+01  0.362452D+01  0.287309D+01 -0.168255D+01 -0.594350D+01
               101           102           103           104           105 
      1   0.803551D+01 -0.375322D+01  0.606641D+01 -0.150955D+02  0.651053D+01
      2  -0.124342D+02  0.457567D+01 -0.990895D+01  0.238459D+02 -0.884823D+01
      3   0.439873D+01 -0.822443D+00  0.384254D+01 -0.875041D+01  0.233770D+01
      4   0.104211D+02 -0.494210D+01  0.928138D+01 -0.106277D+02  0.501398D+01
      5  -0.322490D+01  0.389921D+01 -0.205476D+01  0.350182D+01 -0.199980D+01
      6   0.920211D+01 -0.776462D+01  0.729087D+01 -0.143220D+02  0.105517D+02
               106           107           108           109           110 
      1  -0.489631D+01  0.981073D+01 -0.857069D+01 -0.114695D+01  0.246986D+01
      2   0.539480D+01 -0.113404D+02  0.650222D+01  0.171457D+01 -0.389489D+01
      3  -0.498485D+00  0.152969D+01  0.206847D+01 -0.567622D+00  0.142504D+01
      4  -0.626910D+01  0.676383D+01 -0.595850D+01  0.224394D-01  0.315040D+01
      5   0.364316D+01 -0.321316D+01  0.332301D+01 -0.135907D+01 -0.260250D+00
      6  -0.793133D+01  0.145672D+02 -0.126158D+02  0.102026D+01 -0.217125D+01
               111           112           113           114           115 
      1   0.118511D+01  0.111268D+01 -0.539632D+01 -0.299257D+01  0.713826D+00
      2  -0.186489D+01 -0.181499D+01  0.800814D+01  0.440780D+01 -0.168710D+01
      3   0.679784D+00  0.702302D+00 -0.261182D+01 -0.141523D+01  0.973276D+00
      4   0.713838D+00  0.347699D+01 -0.220881D+01 -0.184559D+01  0.389706D+01
      5   0.153727D+01 -0.460734D-01 -0.563728D+00 -0.193514D+00  0.425438D+00
      6  -0.407986D+01 -0.207630D+01  0.457090D+01  0.756638D+01 -0.412320D+01
               116           117           118           119           120 
      1  -0.744105D+01 -0.705930D+01  0.359136D+01  0.263937D+01  0.167885D+01
      2   0.991535D+01  0.472128D+01 -0.361888D+01 -0.199165D+01 -0.321922D+01
      3  -0.247431D+01  0.233802D+01  0.275240D-01 -0.647716D+00  0.154037D+01
      4  -0.258815D+01 -0.380544D+01  0.472730D+01  0.815399D+01  0.170182D+01
      5  -0.908381D+00 -0.279722D+00  0.669841D+01  0.441430D+01  0.786102D+01
      6   0.807797D+01  0.182718D+02  0.259041D+01  0.669667D+01  0.230511D+01
               121           122           123           124           125 
      1   0.445518D+01 -0.177262D+01 -0.407900D+01  0.742153D+00 -0.241948D+01
      2  -0.378164D+01  0.790875D+00 -0.523561D+01 -0.181063D+01 -0.214609D+01
      3  -0.673536D+00  0.981741D+00  0.931461D+01  0.106848D+01  0.456558D+01
      4   0.797414D+01  0.151889D+02  0.720077D+01  0.873790D+00  0.427895D+01
      5   0.800644D+01  0.114495D+02  0.100105D+02  0.551554D+01  0.471551D+01
      6   0.697083D+01  0.184222D+02  0.104565D+02  0.217587D+01  0.909989D+01
               126           127           128           129           130 
      1  -0.274129D+01 -0.964363D+01 -0.384941D+01  0.138893D+02 -0.266482D+01
      2  -0.238470D+01 -0.896726D+00  0.141931D+01  0.380958D+01  0.138991D+01
      3   0.512599D+01  0.105404D+02  0.243010D+01 -0.176989D+02  0.127492D+01
      4   0.361611D+01  0.431279D+01  0.264258D+01 -0.313477D+01  0.370939D+01
      5   0.465065D+01 -0.123634D+02 -0.279481D+01  0.596495D+01 -0.281717D+01
      6   0.501785D+01 -0.564954D+01 -0.476606D+01  0.575931D+01 -0.249863D+01
               131           132           133           134           135 
      1  -0.316557D+01  0.290359D+01  0.966707D+01  0.271091D+01 -0.125730D+02
      2   0.877272D+00 -0.417157D+00  0.217247D+01 -0.303183D+00 -0.540701D+01
      3   0.228830D+01 -0.248643D+01 -0.118395D+02 -0.240773D+01  0.179800D+02
      4   0.127702D+01  0.720045D+00 -0.222181D+01  0.312352D+00  0.172204D+01
      5   0.579292D+00  0.198310D+00  0.889117D+01  0.778046D+00 -0.490874D+01
      6  -0.246193D+01  0.615955D+01  0.324612D+01  0.570048D+01 -0.502700D+01
               136           137           138           139           140 
      1   0.114880D+02 -0.402178D+01  0.244732D+01 -0.529145D+01 -0.146643D+01
      2  -0.864146D+01  0.130763D+01 -0.664097D+01  0.188698D+01  0.406257D+01
      3  -0.284651D+01  0.271415D+01  0.419364D+01  0.340447D+01 -0.259613D+01
      4  -0.139363D+02  0.132792D+02 -0.811083D+01  0.142220D+02 -0.146702D+02
      5   0.194736D+02 -0.114621D+02  0.171271D+02 -0.133231D+02  0.132337D+02
      6  -0.105636D+02  0.112606D+02 -0.863070D+01  0.108500D+02 -0.146620D+02
               141           142           143           144           145 
      1   0.311813D+01  0.203987D+01  0.216529D+01 -0.235371D+01  0.787510D+00
      2   0.236024D+01 -0.500534D+01  0.177229D+01 -0.562307D+01 -0.232746D+01
      3  -0.547837D+01  0.296546D+01 -0.393758D+01  0.797678D+01  0.153995D+01
      4   0.939019D+01 -0.546102D+01  0.613075D+01 -0.732393D+01 -0.160782D+01
      5  -0.124256D+02  0.129831D+02 -0.844071D+01  0.125967D+02 -0.227822D+01
      6   0.132935D+02 -0.654879D+01  0.994879D+01 -0.979286D+01  0.130232D+01
               146           147           148           149           150 
      1  -0.202125D+01 -0.438120D+01 -0.315716D+01 -0.138097D+00 -0.316217D+01
      2   0.891107D+00  0.205931D+01  0.142808D+01 -0.545728D+00 -0.204781D+00
      3   0.113014D+01  0.232189D+01  0.172908D+01  0.683825D+00  0.336695D+01
      4   0.275250D+01  0.583351D+00  0.535189D+01 -0.175542D+01 -0.488739D+01
      5   0.558343D+00  0.517425D+01  0.197079D+01 -0.455394D+01 -0.623059D+01
      6   0.195565D+00  0.601652D+00 -0.146320D+01  0.329680D+01  0.793145D+01
               151           152           153           154           155 
      1  -0.728363D+01 -0.291577D+01 -0.148836D+02  0.114655D+02  0.783341D+01
      2   0.738693D+01 -0.204931D+00 -0.182341D+02 -0.299983D+01 -0.295741D+01
      3  -0.103295D+00  0.312070D+01  0.331176D+02 -0.846567D+01 -0.487600D+01
      4   0.208215D+01 -0.652564D+01 -0.635938D+01  0.804997D+01  0.142358D+02
      5   0.143941D+02 -0.585050D+01 -0.438983D+02  0.123646D+00 -0.154215D+01
      6  -0.250782D+01  0.833508D+01  0.124721D+02 -0.174833D+01 -0.265465D+01
               156           157           158           159           160 
      1   0.172703D+01  0.178937D+02  0.107411D+02 -0.951527D+00  0.559705D+01
      2  -0.460968D+00 -0.768470D+01  0.146203D+01  0.166694D+01 -0.205045D+01
      3  -0.126606D+01 -0.102090D+02 -0.122032D+02 -0.715416D+00 -0.354660D+01
      4  -0.522965D+00  0.172227D+02  0.309642D+02  0.151528D+00  0.392674D+00
      5   0.253721D+01 -0.429981D+01 -0.276388D+00  0.770744D+01  0.326517D+01
      6   0.646468D+00 -0.239458D+01 -0.714790D+01  0.225613D+01  0.106686D+01
               161           162           163           164           165 
      1   0.355122D+00 -0.485917D+00  0.456720D+02 -0.168974D+02  0.717130D+01
      2   0.250895D+00 -0.136806D+01 -0.175230D+02  0.393629D+01 -0.224980D+01
      3  -0.606017D+00  0.185397D+01 -0.281490D+02  0.129611D+02 -0.492150D+01
      4   0.284282D+01  0.298998D+01 -0.251884D+02  0.198121D+02 -0.380908D+01
      5   0.356678D+01 -0.204313D+01  0.307506D+01 -0.150822D+01  0.787014D+01
      6   0.267808D+01  0.880461D+00  0.105696D+01 -0.193377D+01 -0.144471D+01
               166           167           168           169           170 
      1  -0.243897D+02  0.131713D+02 -0.266795D+01  0.169013D+02 -0.512406D+01
      2   0.669233D+01  0.135199D+01 -0.959624D+00 -0.645534D+01  0.109489D+00
      3   0.176974D+02 -0.145233D+02  0.362758D+01 -0.104460D+02  0.501457D+01
      4   0.245155D+02 -0.195655D+02  0.403834D+01 -0.915480D+01  0.805634D+01
      5  -0.713321D+00  0.219348D+01 -0.776577D+01  0.788398D+01 -0.539815D+01
      6  -0.154266D+01  0.408285D+00  0.304698D+01 -0.179562D+01  0.206027D+01
               171 
      1   0.387256D+01
      2  -0.295649D+01
      3  -0.916074D+00
      4  -0.606255D+01
      5   0.400240D+01
      6  -0.110382D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:52:32 2021, MaxMem=  5637144576 cpu:           19574.4 elap:            2455.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32894 -19.27178 -14.43750 -10.43616 -10.34265
 Alpha  occ. eigenvalues --  -10.30721 -10.28477 -10.28051  -1.22572  -1.13451
 Alpha  occ. eigenvalues --   -1.00495  -0.89943  -0.81467  -0.78554  -0.71128
 Alpha  occ. eigenvalues --   -0.65927  -0.61460  -0.59701  -0.58699  -0.55397
 Alpha  occ. eigenvalues --   -0.53128  -0.51736  -0.50520  -0.49917  -0.46769
 Alpha  occ. eigenvalues --   -0.46202  -0.42945  -0.42511  -0.41668  -0.40826
 Alpha  occ. eigenvalues --   -0.37476  -0.33871
 Alpha virt. eigenvalues --    0.03298   0.04394   0.04601   0.05013   0.06441
 Alpha virt. eigenvalues --    0.06669   0.07015   0.07251   0.07906   0.08204
 Alpha virt. eigenvalues --    0.09400   0.10479   0.11193   0.12167   0.13142
 Alpha virt. eigenvalues --    0.13505   0.13924   0.14609   0.15146   0.15443
 Alpha virt. eigenvalues --    0.15751   0.16308   0.17535   0.17952   0.18601
 Alpha virt. eigenvalues --    0.18798   0.19719   0.19996   0.20427   0.20737
 Alpha virt. eigenvalues --    0.21435   0.22156   0.22989   0.23701   0.24928
 Alpha virt. eigenvalues --    0.25070   0.25902   0.26707   0.26877   0.28040
 Alpha virt. eigenvalues --    0.28836   0.28931   0.29925   0.30282   0.31593
 Alpha virt. eigenvalues --    0.32414   0.32732   0.33163   0.33615   0.33737
 Alpha virt. eigenvalues --    0.34174   0.35537   0.36129   0.38410   0.38673
 Alpha virt. eigenvalues --    0.39577   0.40108   0.40979   0.41516   0.42751
 Alpha virt. eigenvalues --    0.42956   0.43296   0.44317   0.44914   0.45177
 Alpha virt. eigenvalues --    0.46096   0.46715   0.47844   0.47998   0.49196
 Alpha virt. eigenvalues --    0.50397   0.51463   0.52100   0.52673   0.53198
 Alpha virt. eigenvalues --    0.53964   0.54378   0.55198   0.55318   0.56165
 Alpha virt. eigenvalues --    0.57174   0.57536   0.58688   0.59049   0.60355
 Alpha virt. eigenvalues --    0.61462   0.62381   0.62902   0.63031   0.63869
 Alpha virt. eigenvalues --    0.65542   0.66717   0.67413   0.68102   0.68634
 Alpha virt. eigenvalues --    0.69550   0.70538   0.71807   0.72572   0.73325
 Alpha virt. eigenvalues --    0.73570   0.74073   0.75479   0.76451   0.77858
 Alpha virt. eigenvalues --    0.78452   0.79363   0.80147   0.81773   0.82772
 Alpha virt. eigenvalues --    0.83476   0.84358   0.85237   0.85710   0.87031
 Alpha virt. eigenvalues --    0.88657   0.89177   0.90411   0.90876   0.92912
 Alpha virt. eigenvalues --    0.94007   0.94520   0.96333   0.98852   0.99469
 Alpha virt. eigenvalues --    1.00261   1.01994   1.02373   1.03165   1.06333
 Alpha virt. eigenvalues --    1.07477   1.09515   1.11267   1.12124   1.12446
 Alpha virt. eigenvalues --    1.15237   1.16490   1.17912   1.18649   1.20591
 Alpha virt. eigenvalues --    1.21715   1.22706   1.24714   1.25936   1.27166
 Alpha virt. eigenvalues --    1.31276   1.32353   1.34272   1.35497   1.37657
 Alpha virt. eigenvalues --    1.39058   1.43287   1.44463   1.46081   1.47887
 Alpha virt. eigenvalues --    1.49545   1.50935   1.52462   1.56301   1.58443
 Alpha virt. eigenvalues --    1.61452   1.62255   1.64986   1.66419   1.67107
 Alpha virt. eigenvalues --    1.68283   1.71087   1.74697   1.75159   1.75767
 Alpha virt. eigenvalues --    1.77848   1.78466   1.81662   1.83345   1.85648
 Alpha virt. eigenvalues --    1.86803   1.88667   1.89360   1.90520   1.92553
 Alpha virt. eigenvalues --    1.93821   1.95722   1.96682   1.98390   1.99658
 Alpha virt. eigenvalues --    2.00750   2.03576   2.04409   2.07562   2.09788
 Alpha virt. eigenvalues --    2.11230   2.12418   2.14575   2.15045   2.15714
 Alpha virt. eigenvalues --    2.18649   2.19624   2.21575   2.23561   2.23929
 Alpha virt. eigenvalues --    2.26713   2.27570   2.30366   2.31627   2.32380
 Alpha virt. eigenvalues --    2.34256   2.36783   2.37049   2.38582   2.42108
 Alpha virt. eigenvalues --    2.43120   2.44383   2.46669   2.50263   2.54030
 Alpha virt. eigenvalues --    2.57112   2.58027   2.60323   2.61996   2.63459
 Alpha virt. eigenvalues --    2.67104   2.68285   2.71159   2.73862   2.75515
 Alpha virt. eigenvalues --    2.78817   2.81474   2.83692   2.87499   2.91196
 Alpha virt. eigenvalues --    2.97501   2.98223   3.01587   3.04109   3.12310
 Alpha virt. eigenvalues --    3.18911   3.21226   3.36640   3.41469   3.46198
 Alpha virt. eigenvalues --    3.48749   3.50370   3.50684   3.51593   3.53264
 Alpha virt. eigenvalues --    3.56695   3.62744   3.74559   3.80208   3.92908
 Alpha virt. eigenvalues --    4.11843
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.044057  -0.175231   0.071654  -0.172787   0.020691  -0.278164
     2  C   -0.175231   8.540904  -0.966254   0.302338   0.029046  -0.027926
     3  C    0.071654  -0.966254  10.298088  -1.871508  -0.080796  -0.535855
     4  C   -0.172787   0.302338  -1.871508   6.769171  -0.042562   0.018268
     5  O    0.020691   0.029046  -0.080796  -0.042562   8.310115   0.035923
     6  C   -0.278164  -0.027926  -0.535855   0.018268   0.035923   4.714090
     7  N    0.028822  -0.446745  -0.582517   0.152015   0.010849   0.182667
     8  O    0.025729   0.015718  -0.005292   0.179385  -0.019472   0.009775
     9  H   -0.113519   0.292752  -1.243316   0.071682  -0.029205   0.138768
    10  H    0.015181  -1.458760   0.221777  -0.078379  -0.013490   0.164570
    11  H   -0.005797  -0.005597   0.062084  -0.088478   0.300920  -0.006138
    12  H   -0.023032   0.093399   0.193138  -0.050802   0.001108  -0.038296
    13  H    0.004382  -0.023364  -0.114918  -0.076317   0.000268   0.026600
    14  H   -0.117959  -0.103408   0.007993   0.023132  -0.007037   0.291703
    15  H   -0.101677   0.186064  -0.199890   0.060660  -0.004138   0.226316
    16  H    0.122037   0.034496   0.024041   0.002131   0.005942   0.091960
    17  H    0.023735   0.288356  -0.153841   0.056729   0.003001  -0.009491
    18  H    0.465717  -0.181762  -0.077150   0.018182   0.000158  -0.081241
    19  H    0.100208   0.131250   0.128238  -0.048234   0.000041   0.008130
               7          8          9         10         11         12
     1  C    0.028822   0.025729  -0.113519   0.015181  -0.005797  -0.023032
     2  C   -0.446745   0.015718   0.292752  -1.458760  -0.005597   0.093399
     3  C   -0.582517  -0.005292  -1.243316   0.221777   0.062084   0.193138
     4  C    0.152015   0.179385   0.071682  -0.078379  -0.088478  -0.050802
     5  O    0.010849  -0.019472  -0.029205  -0.013490   0.300920   0.001108
     6  C    0.182667   0.009775   0.138768   0.164570  -0.006138  -0.038296
     7  N    6.925748   0.008917   0.193147   0.088663  -0.002415   0.163544
     8  O    0.008917   8.382650  -0.033512  -0.006803  -0.037724   0.002883
     9  H    0.193147  -0.033512   2.225230  -0.001448   0.011721  -0.088006
    10  H    0.088663  -0.006803  -0.001448   2.700353   0.001034  -0.001590
    11  H   -0.002415  -0.037724   0.011721   0.001034   0.580821  -0.000428
    12  H    0.163544   0.002883  -0.088006  -0.001590  -0.000428   0.927100
    13  H    0.365013   0.010200   0.056081   0.004620  -0.001015  -0.118556
    14  H   -0.030632  -0.007218   0.008498   0.097296  -0.000023  -0.003057
    15  H    0.049747   0.014624   0.013709  -0.006748   0.002541   0.000438
    16  H    0.001607  -0.001515   0.008163  -0.092335  -0.000183  -0.000988
    17  H    0.062125   0.000278  -0.030104  -0.082975   0.000463  -0.002293
    18  H   -0.002590   0.001354  -0.007413   0.114897   0.000504  -0.007671
    19  H   -0.018307   0.001301   0.015337  -0.078878  -0.001218   0.002751
              13         14         15         16         17         18
     1  C    0.004382  -0.117959  -0.101677   0.122037   0.023735   0.465717
     2  C   -0.023364  -0.103408   0.186064   0.034496   0.288356  -0.181762
     3  C   -0.114918   0.007993  -0.199890   0.024041  -0.153841  -0.077150
     4  C   -0.076317   0.023132   0.060660   0.002131   0.056729   0.018182
     5  O    0.000268  -0.007037  -0.004138   0.005942   0.003001   0.000158
     6  C    0.026600   0.291703   0.226316   0.091960  -0.009491  -0.081241
     7  N    0.365013  -0.030632   0.049747   0.001607   0.062125  -0.002590
     8  O    0.010200  -0.007218   0.014624  -0.001515   0.000278   0.001354
     9  H    0.056081   0.008498   0.013709   0.008163  -0.030104  -0.007413
    10  H    0.004620   0.097296  -0.006748  -0.092335  -0.082975   0.114897
    11  H   -0.001015  -0.000023   0.002541  -0.000183   0.000463   0.000504
    12  H   -0.118556  -0.003057   0.000438  -0.000988  -0.002293  -0.007671
    13  H    0.831511   0.019377  -0.003912   0.001118   0.002770   0.004646
    14  H    0.019377   1.591101  -0.221261  -0.409596  -0.000526   0.001791
    15  H   -0.003912  -0.221261   1.603974  -0.389031  -0.014542   0.001962
    16  H    0.001118  -0.409596  -0.389031   1.833637   0.021725  -0.011052
    17  H    0.002770  -0.000526  -0.014542   0.021725   1.689681  -0.285321
    18  H    0.004646   0.001791   0.001962  -0.011052  -0.285321   1.540475
    19  H   -0.005040  -0.022884   0.007253   0.002227  -0.371818  -0.379520
              19
     1  C    0.100208
     2  C    0.131250
     3  C    0.128238
     4  C   -0.048234
     5  O    0.000041
     6  C    0.008130
     7  N   -0.018307
     8  O    0.001301
     9  H    0.015337
    10  H   -0.078878
    11  H   -0.001218
    12  H    0.002751
    13  H   -0.005040
    14  H   -0.022884
    15  H    0.007253
    16  H    0.002227
    17  H   -0.371818
    18  H   -0.379520
    19  H    1.704179
 Mulliken charges:
               1
     1  C    1.065954
     2  C   -0.525275
     3  C    0.824326
     4  C    0.775372
     5  O   -0.521363
     6  C    1.068345
     7  N   -0.149659
     8  O   -0.541276
     9  H   -0.488565
    10  H   -0.586985
    11  H    0.188929
    12  H   -0.049642
    13  H    0.016537
    14  H   -0.117289
    15  H   -0.226088
    16  H   -0.244385
    17  H   -0.197950
    18  H   -0.115968
    19  H   -0.175016
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.577020
     2  C   -1.112260
     3  C    0.335761
     4  C    0.775372
     5  O   -0.332434
     6  C    0.480583
     7  N   -0.182764
     8  O   -0.541276
 Electronic spatial extent (au):  <R**2>=           1049.6081
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1988    Y=             -1.0904    Z=             -0.8419  Tot=              1.3919
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.6767   YY=            -48.5813   ZZ=            -49.8187
   XY=              1.5517   XZ=              3.2480   YZ=             -2.0394
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.9844   YY=              1.1109   ZZ=             -0.1265
   XY=              1.5517   XZ=              3.2480   YZ=             -2.0394
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -23.8116  YYY=              2.7537  ZZZ=             -4.2560  XYY=            -14.2874
  XXY=            -19.5486  XXZ=             -5.1838  XZZ=             -1.9909  YZZ=              3.3651
  YYZ=              1.1034  XYZ=              5.0614
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -753.7294 YYYY=           -291.0722 ZZZZ=           -265.7460 XXXY=             50.8732
 XXXZ=             23.5263 YYYX=              0.5711 YYYZ=             -1.5208 ZZZX=             -0.9620
 ZZZY=             -0.1043 XXYY=           -167.6431 XXZZ=           -184.6842 YYZZ=            -91.6734
 XXYZ=             -5.3881 YYXZ=              5.4048 ZZXY=             -1.2002
 N-N= 4.078384543272D+02 E-N=-1.754978129779D+03  KE= 3.998116208035D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:52:34 2021, MaxMem=  5637144576 cpu:               9.6 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09422957D-01-4.00661973D-01-3.20379229D-01
 Polarizability= 8.17941946D+01 2.44033481D-02 7.23061945D+01
                -2.39603674D+00 1.78836517D+00 6.98361564D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3769    1.3756        0.1692    0.1688
 2     -1.3769   -1.3756       -0.9372   -0.9385       -5.2651   -5.2631
 3     -0.1692   -0.1688        6.6230    6.6232        0.9385    0.9385
 4      0.9372    0.9385       -0.0000    0.0000       -0.1678   -0.1688
 5     -1.3579   -1.3602        0.1678    0.1688        1.3774    1.3756
 6     -0.9385   -0.9385       -1.3774   -1.3756       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.1268   -4.1268        0.5065    0.5065
 2      2.8155    2.8155       -0.0000    0.0000        0.5065    0.5065
 3      2.8155    2.8155       -4.1268   -4.1268       -0.0000    0.0000
 4     -4.1268   -4.1268       -2.8155   -2.8155      -15.7892  -15.7892
 5     -0.5065   -0.5065       19.8697   19.8697        2.8155    2.8155
 6     -4.0805   -4.0805        0.5065    0.5065        4.1268    4.1268
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2315    0.0000       -5.6430   -5.5024       -0.4978   -0.6753
 2      5.5268    5.5024        3.9709    3.7541       21.1138   21.0523
 3      0.4180    0.6753      -26.5555  -26.4930       -3.7097   -3.7541
 4     -3.9854   -3.7541        0.0833    0.0000        0.6302    0.6753
 5      5.4866    5.4406       -0.4961   -0.6753       -5.6620   -5.5024
 6      3.6100    3.7541        5.3346    5.5024        0.0279    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1506    0.0000        7.0157    6.9996       -6.3196   -6.3812
 2     -6.6905   -6.9996        8.3021    8.4369        8.4881    8.5281
 3      6.3602    6.3812       18.1488   18.2134       -9.0415   -8.4369
 4     -8.4496   -8.4369        0.0246    0.0000        6.4379    6.3812
 5    -27.1987  -26.7414       -6.5880   -6.3812        7.0818    6.9996
 6      8.5613    8.4369       -7.0376   -6.9996       -0.0536    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.4962   -8.6989       18.2083   18.1264       11.4333   11.5878
 2    -27.7665  -27.7489       26.7481   26.5506       11.5370   11.5878
 3    -27.6060  -27.7489       18.2595   18.1264       16.2806   16.3268
 4     -8.2535   -8.4242       18.9512   19.0500       18.8008   18.9986
 5      4.7567    4.7390       33.9439   33.9038      -19.8634  -19.0500
 6    -53.1759  -52.9024       -4.9108   -4.7390        8.2912    8.4242
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0707   -4.1717   -0.0009   -0.0008   -0.0007    4.2328
 Low frequencies ---   52.1256   82.8422  177.1609
 Diagonal vibrational polarizability:
       16.6796095      21.0953530      40.8895042
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.1220                82.8409               177.1609
 Red. masses --      5.5843                 3.4155                 3.3672
 Frc consts  --      0.0089                 0.0138                 0.0623
 IR Inten    --      1.1327                 0.6329                 0.1603
 RamAct Fr= 1--      0.8893                 0.4706                 0.6220
  Dep-P Fr= 1--      0.7451                 0.7496                 0.6315
  Dep-U Fr= 1--      0.8539                 0.8569                 0.7741
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0013
 Beta2  Fr= 1--      0.1266                 0.0672                 0.0802
 AlphaG Fr= 1--     -0.0006                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.1271                 0.2506                 0.1688
 Delta2 Fr= 1--     -0.1945                 0.1941                 0.0741
 Raman1 Fr= 1--       3.557                  1.882                  2.488
 ROA1   Fr= 1--     -18.428                 30.274                 18.578
 CID1   Fr= 1--      -5.181                 16.082                  7.468
 Raman2 Fr= 1--       1.519                  0.806                  0.963
 ROA2   Fr= 1--      -1.495                  4.462                  3.459
 CID2   Fr= 1--      -0.984                  5.533                  3.592
 Raman3 Fr= 1--       3.037                  1.613                  1.926
 ROA3   Fr= 1--     -18.428                 30.274                 18.578
 CID3   Fr= 1--      -6.067                 18.769                  9.647
 RC180  Fr= 1--       0.708                  0.714                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12  -0.01    -0.07  -0.16  -0.13    -0.04  -0.15   0.01
     2   6     0.01  -0.02  -0.10    -0.01   0.00   0.04    -0.10   0.04  -0.06
     3   6    -0.00   0.03   0.00     0.00   0.04   0.08    -0.01   0.14  -0.07
     4   6    -0.01   0.04   0.01    -0.03   0.00  -0.03     0.06   0.02  -0.00
     5   8     0.14  -0.14   0.30     0.09  -0.04  -0.02     0.19  -0.05   0.05
     6   6    -0.06  -0.23  -0.07     0.16   0.13   0.01    -0.20   0.03  -0.05
     7   7     0.03   0.01   0.06    -0.00   0.02   0.19     0.01   0.12  -0.01
     8   8    -0.13   0.21  -0.22    -0.15   0.01  -0.14     0.06  -0.10   0.09
     9   1    -0.05   0.09  -0.01     0.03   0.12   0.07    -0.03   0.18  -0.08
    10   1     0.04   0.00  -0.25    -0.11   0.01   0.17    -0.21   0.08  -0.07
    11   1     0.11  -0.09   0.26     0.04  -0.05  -0.12     0.27  -0.19   0.14
    12   1     0.01   0.05   0.11    -0.03   0.07   0.26    -0.06   0.16   0.08
    13   1     0.06  -0.02   0.08     0.02  -0.06   0.22     0.12   0.06   0.04
    14   1    -0.13  -0.25   0.10     0.33   0.11  -0.12     0.00  -0.05  -0.03
    15   1    -0.07  -0.37  -0.13     0.18   0.32   0.12    -0.28   0.25  -0.14
    16   1    -0.03  -0.25  -0.14     0.09   0.06   0.02    -0.40  -0.13   0.03
    17   1     0.06   0.31  -0.05    -0.19  -0.32  -0.09    -0.02  -0.15   0.01
    18   1     0.01   0.10   0.17    -0.00  -0.16  -0.31     0.13  -0.20   0.02
    19   1     0.02   0.05  -0.11    -0.05  -0.14  -0.11    -0.16  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    185.3957               217.8623               256.6939
 Red. masses --      1.1142                 1.1045                 1.2139
 Frc consts  --      0.0226                 0.0309                 0.0471
 IR Inten    --     38.0562                 0.8827                 2.7907
 RamAct Fr= 1--      0.1822                 0.0392                 0.0700
  Dep-P Fr= 1--      0.6098                 0.1162                 0.7394
  Dep-U Fr= 1--      0.7576                 0.2082                 0.8502
 Alpha2 Fr= 1--      0.0005                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0230                 0.0014                 0.0099
 AlphaG Fr= 1--     -0.0012                -0.0005                -0.0005
 Gamma2 Fr= 1--     -0.0976                -0.0004                -0.0323
 Delta2 Fr= 1--      0.0907                -0.0181                 0.0407
 Raman1 Fr= 1--       0.729                  0.157                  0.280
 ROA1   Fr= 1--      -6.466                 -0.612                 -1.797
 CID1   Fr= 1--      -8.874                 -3.900                 -6.414
 Raman2 Fr= 1--       0.276                  0.016                  0.119
 ROA2   Fr= 1--      -3.068                  0.136                 -1.100
 CID2   Fr= 1--     -11.113                  8.328                 -9.233
 Raman3 Fr= 1--       0.552                  0.033                  0.238
 ROA3   Fr= 1--      -6.466                 -0.612                 -1.797
 CID3   Fr= 1--     -11.712                -18.732                 -7.545
 RC180  Fr= 1--       0.515                 -0.584                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.00  -0.04   0.01     0.04   0.02   0.03
     2   6     0.01   0.02   0.00    -0.00   0.01   0.02     0.02   0.00  -0.02
     3   6    -0.01  -0.01   0.00    -0.00   0.01   0.02     0.00  -0.02  -0.02
     4   6    -0.01  -0.01   0.01    -0.01   0.00   0.01    -0.00  -0.02  -0.02
     5   8    -0.02   0.00  -0.01     0.02   0.00  -0.02    -0.06  -0.02   0.02
     6   6     0.01  -0.00   0.01     0.03   0.01   0.02     0.02   0.03  -0.03
     7   7     0.02  -0.01  -0.07    -0.01   0.02  -0.04    -0.04  -0.02   0.04
     8   8    -0.02  -0.00  -0.00    -0.03  -0.01   0.00     0.03   0.01  -0.01
     9   1    -0.03  -0.03   0.00    -0.01  -0.02   0.02     0.01   0.01  -0.02
    10   1     0.02   0.02   0.00    -0.02   0.02   0.02     0.03  -0.00  -0.03
    11   1    -0.03   0.02  -0.03     0.01  -0.01  -0.04    -0.05   0.03   0.05
    12   1    -0.52  -0.02   0.37    -0.06  -0.01  -0.02     0.11  -0.01  -0.07
    13   1     0.65  -0.12   0.17     0.06   0.05  -0.03    -0.26  -0.03  -0.02
    14   1     0.20  -0.08   0.04    -0.15   0.08   0.02     0.46  -0.11  -0.09
    15   1    -0.02   0.16  -0.00     0.09  -0.19   0.06    -0.07   0.50  -0.05
    16   1    -0.12  -0.14   0.02     0.20   0.15  -0.03    -0.32  -0.28   0.05
    17   1     0.03   0.04   0.02    -0.14   0.44  -0.07     0.04   0.28  -0.02
    18   1     0.03   0.02   0.03     0.30  -0.18   0.41     0.15  -0.05   0.28
    19   1     0.01   0.01   0.02    -0.15  -0.43  -0.34    -0.03  -0.16  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    259.4070               293.4039               342.7100
 Red. masses --      2.2903                 2.8466                 3.2790
 Frc consts  --      0.0908                 0.1444                 0.2269
 IR Inten    --      1.8722                 5.6278                 7.9590
 RamAct Fr= 1--      0.4868                 0.3196                 1.4363
  Dep-P Fr= 1--      0.2127                 0.3830                 0.2869
  Dep-U Fr= 1--      0.3508                 0.5539                 0.4459
 Alpha2 Fr= 1--      0.0064                 0.0025                 0.0153
 Beta2  Fr= 1--      0.0285                 0.0295                 0.1067
 AlphaG Fr= 1--     -0.0082                -0.0012                -0.0016
 Gamma2 Fr= 1--     -0.0941                 0.1051                -0.0065
 Delta2 Fr= 1--     -0.0623                 0.0980                -0.1132
 Raman1 Fr= 1--       1.947                  1.279                  5.745
 ROA1   Fr= 1--     -11.028                 13.220                 -4.242
 CID1   Fr= 1--      -5.663                 10.340                 -0.738
 Raman2 Fr= 1--       0.342                  0.354                  1.281
 ROA2   Fr= 1--      -1.759                  1.737                  0.750
 CID2   Fr= 1--      -5.151                  4.907                  0.586
 Raman3 Fr= 1--       0.683                  0.708                  2.562
 ROA3   Fr= 1--     -11.028                 13.220                 -4.242
 CID3   Fr= 1--     -16.142                 18.667                 -1.656
 RC180  Fr= 1--      -0.298                  0.108                 -0.108
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01   0.00    -0.13   0.14  -0.06    -0.18   0.05  -0.11
     2   6     0.02  -0.01  -0.07    -0.05  -0.05   0.02    -0.03   0.00   0.12
     3   6     0.01  -0.03  -0.06    -0.01  -0.05   0.02     0.04  -0.03  -0.01
     4   6     0.01  -0.03  -0.04    -0.02   0.00   0.02     0.10  -0.02  -0.09
     5   8    -0.09  -0.03   0.04     0.04  -0.01  -0.01     0.03  -0.02  -0.02
     6   6    -0.10   0.15  -0.08    -0.08   0.08   0.01    -0.05  -0.04   0.15
     7   7     0.01  -0.07   0.16     0.26  -0.11   0.01    -0.11  -0.01   0.02
     8   8     0.09   0.03  -0.02    -0.05  -0.05   0.02     0.22   0.08  -0.06
     9   1     0.01   0.09  -0.08    -0.04  -0.06   0.02     0.19  -0.06  -0.00
    10   1     0.06  -0.04  -0.02     0.02  -0.07   0.05    -0.04  -0.00   0.14
    11   1    -0.08   0.05   0.10     0.05  -0.07  -0.03     0.05   0.01   0.04
    12   1    -0.13   0.03   0.37     0.49   0.03  -0.06    -0.32  -0.08   0.13
    13   1     0.12  -0.29   0.24     0.26  -0.00  -0.02    -0.07  -0.13   0.06
    14   1    -0.43   0.28  -0.16     0.02   0.07  -0.09    -0.02  -0.08   0.23
    15   1    -0.08  -0.10  -0.12    -0.13   0.26  -0.02    -0.07  -0.04   0.10
    16   1     0.10   0.42   0.04    -0.19   0.05   0.13    -0.09  -0.11   0.13
    17   1     0.11   0.06  -0.01    -0.26   0.35  -0.09    -0.50   0.15  -0.11
    18   1     0.10  -0.04   0.09    -0.20   0.14   0.09    -0.17   0.05  -0.12
    19   1     0.01  -0.08   0.00    -0.03   0.12  -0.29    -0.05   0.02  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    396.0426               440.6555               570.6859
 Red. masses --      2.4307                 3.7985                 1.7697
 Frc consts  --      0.2246                 0.4346                 0.3396
 IR Inten    --      1.3089                16.4141                40.2788
 RamAct Fr= 1--      0.4710                 2.3886                 1.5843
  Dep-P Fr= 1--      0.3861                 0.1622                 0.2498
  Dep-U Fr= 1--      0.5572                 0.2791                 0.3998
 Alpha2 Fr= 1--      0.0037                 0.0358                 0.0188
 Beta2  Fr= 1--      0.0437                 0.1111                 0.1056
 AlphaG Fr= 1--     -0.0140                 0.0048                 0.0053
 Gamma2 Fr= 1--      0.1501                 0.1860                -0.8740
 Delta2 Fr= 1--     -0.0496                -0.0735                 0.1030
 Raman1 Fr= 1--       1.884                  9.554                  6.337
 ROA1   Fr= 1--      12.827                 15.508                -80.604
 CID1   Fr= 1--       6.808                  1.623                -12.719
 Raman2 Fr= 1--       0.525                  1.333                  1.267
 ROA2   Fr= 1--       4.000                  5.052                -21.799
 CID2   Fr= 1--       7.622                  3.789                -17.208
 Raman3 Fr= 1--       1.050                  2.667                  2.534
 ROA3   Fr= 1--      12.827                 15.508                -80.604
 CID3   Fr= 1--      12.220                  5.815                -31.815
 RC180  Fr= 1--       0.114                 -0.442                 -0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03   0.16    -0.04   0.01   0.07     0.06   0.00  -0.03
     2   6    -0.16  -0.02  -0.00    -0.05  -0.17  -0.06     0.04   0.05   0.02
     3   6    -0.06   0.05  -0.10    -0.04  -0.12   0.04    -0.05  -0.03  -0.09
     4   6    -0.02   0.02  -0.11     0.04   0.06   0.12    -0.09   0.09  -0.06
     5   8    -0.01  -0.05   0.01     0.23   0.12  -0.07     0.03   0.06  -0.03
     6   6     0.15  -0.01  -0.03     0.00   0.04  -0.11     0.01  -0.00   0.06
     7   7     0.05   0.00   0.01    -0.14  -0.12  -0.00    -0.02  -0.10   0.01
     8   8     0.08  -0.01  -0.01    -0.00   0.13   0.05    -0.04   0.02   0.05
     9   1     0.04   0.07  -0.10    -0.18  -0.14   0.04    -0.00  -0.07  -0.08
    10   1    -0.18  -0.01   0.01    -0.02  -0.17  -0.05     0.11   0.02   0.06
    11   1     0.10  -0.13   0.21     0.15  -0.06  -0.37     0.44  -0.51   0.56
    12   1     0.07   0.11   0.09    -0.30  -0.22   0.03     0.05   0.01   0.07
    13   1     0.10  -0.08   0.05    -0.14  -0.16   0.00    -0.07  -0.22   0.03
    14   1     0.20   0.00  -0.16     0.02   0.09  -0.37     0.01  -0.04   0.19
    15   1     0.33  -0.06   0.28     0.03   0.17  -0.01    -0.01  -0.06   0.01
    16   1     0.33   0.03  -0.29     0.03   0.14   0.01    -0.02  -0.06   0.01
    17   1     0.09   0.06   0.14     0.12   0.13   0.03     0.01  -0.05  -0.02
    18   1    -0.22   0.04   0.26    -0.22   0.04   0.23     0.16  -0.02  -0.09
    19   1    -0.14   0.08   0.28     0.01   0.09   0.10     0.02  -0.06  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    609.4360               656.4943               717.4688
 Red. masses --      1.9777                 2.7922                 3.1937
 Frc consts  --      0.4328                 0.7090                 0.9686
 IR Inten    --     41.0083                26.8780                27.8350
 RamAct Fr= 1--      0.9179                 2.4242                14.9301
  Dep-P Fr= 1--      0.7445                 0.5704                 0.0216
  Dep-U Fr= 1--      0.8535                 0.7264                 0.0423
 Alpha2 Fr= 1--      0.0001                 0.0082                 0.3154
 Beta2  Fr= 1--      0.1306                 0.2935                 0.1052
 AlphaG Fr= 1--     -0.0007                -0.0234                 0.1388
 Gamma2 Fr= 1--     -0.2008                -0.3391                -0.1246
 Delta2 Fr= 1--      0.2693                 0.1150                 0.0309
 Raman1 Fr= 1--       3.671                  9.697                 59.720
 ROA1   Fr= 1--     -10.655                -28.877                -10.974
 CID1   Fr= 1--      -2.902                 -2.978                 -0.184
 Raman2 Fr= 1--       1.567                  3.522                  1.262
 ROA2   Fr= 1--      -6.973                 -9.059                 -3.238
 CID2   Fr= 1--      -4.450                 -2.572                 -2.565
 Raman3 Fr= 1--       3.134                  7.044                  2.525
 ROA3   Fr= 1--     -10.655                -28.877                -10.974
 CID3   Fr= 1--      -3.400                 -4.100                 -4.347
 RC180  Fr= 1--       0.707                  0.453                 -0.915
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.01   0.00  -0.00    -0.10   0.01   0.05
     2   6    -0.04   0.19  -0.01     0.00  -0.01   0.02    -0.05   0.17  -0.03
     3   6    -0.09  -0.02  -0.05     0.06  -0.01  -0.19     0.07  -0.05   0.07
     4   6    -0.03  -0.04   0.05     0.05   0.11  -0.09     0.21  -0.09   0.12
     5   8     0.05  -0.06  -0.02     0.05   0.12   0.15    -0.04   0.14  -0.00
     6   6     0.01   0.01   0.02     0.01  -0.00   0.05    -0.02   0.02  -0.10
     7   7     0.02  -0.11   0.01    -0.03  -0.07   0.00     0.01  -0.09   0.00
     8   8     0.04   0.07   0.03    -0.09  -0.15   0.01    -0.03  -0.07  -0.12
     9   1    -0.16  -0.05  -0.04     0.12  -0.03  -0.18    -0.07  -0.12   0.08
    10   1     0.04   0.15   0.04     0.02  -0.02   0.06    -0.03   0.16  -0.02
    11   1    -0.26   0.12  -0.62    -0.28   0.68  -0.26     0.24   0.08   0.60
    12   1     0.22   0.06   0.01    -0.07   0.01   0.11    -0.03  -0.17  -0.04
    13   1     0.00  -0.12   0.01    -0.20  -0.34   0.02    -0.07  -0.06  -0.03
    14   1     0.06  -0.08   0.28     0.04  -0.02   0.09     0.04  -0.05   0.11
    15   1     0.04  -0.12   0.04     0.03  -0.04   0.08     0.02  -0.09  -0.06
    16   1    -0.00  -0.14  -0.23     0.02  -0.03  -0.02    -0.01  -0.10  -0.33
    17   1     0.02  -0.13   0.02    -0.06   0.02  -0.00    -0.08  -0.11   0.07
    18   1     0.25  -0.05  -0.10    -0.03   0.01  -0.00     0.10  -0.04  -0.03
    19   1    -0.17  -0.13   0.11     0.03   0.02  -0.06    -0.28  -0.11   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    837.6970               844.6302               911.1664
 Red. masses --      3.1109                 2.1743                 1.9172
 Frc consts  --      1.2862                 0.9139                 0.9378
 IR Inten    --      9.1368               105.1757                45.4285
 RamAct Fr= 1--      5.9891                 1.5782                 2.3736
  Dep-P Fr= 1--      0.0600                 0.4911                 0.7494
  Dep-U Fr= 1--      0.1133                 0.6587                 0.8568
 Alpha2 Fr= 1--      0.1155                 0.0081                 0.0000
 Beta2  Fr= 1--      0.1131                 0.1733                 0.3389
 AlphaG Fr= 1--     -0.0236                -0.0072                -0.0001
 Gamma2 Fr= 1--     -0.1422                 0.0491                 0.6867
 Delta2 Fr= 1--     -0.2246                 0.4147                 0.7232
 Raman1 Fr= 1--      23.956                  6.313                  9.495
 ROA1   Fr= 1--     -20.842                 17.988                 89.065
 CID1   Fr= 1--      -0.870                  2.849                  9.381
 Raman2 Fr= 1--       1.357                  2.079                  4.067
 ROA2   Fr= 1--      -1.617                 -2.138                 10.696
 CID2   Fr= 1--      -1.192                 -1.029                  2.630
 Raman3 Fr= 1--       2.713                  4.158                  8.135
 ROA3   Fr= 1--     -20.842                 17.988                 89.065
 CID3   Fr= 1--      -7.681                  4.326                 10.949
 RC180  Fr= 1--      -0.773                  0.317                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.03  -0.05     0.05   0.01  -0.04    -0.08  -0.05   0.09
     2   6    -0.04  -0.09  -0.07    -0.02  -0.02  -0.01     0.13  -0.00   0.06
     3   6    -0.10   0.06  -0.17    -0.14   0.04   0.13     0.06   0.05  -0.09
     4   6     0.14  -0.13   0.19     0.03   0.04  -0.11     0.01  -0.02   0.06
     5   8    -0.02   0.04  -0.04     0.02   0.05   0.04    -0.01  -0.01  -0.02
     6   6    -0.00   0.00   0.19     0.00  -0.01   0.02     0.04   0.01  -0.10
     7   7    -0.01   0.04   0.00    -0.11  -0.11  -0.01    -0.10  -0.04  -0.00
     8   8    -0.02   0.02  -0.07     0.06  -0.06  -0.05    -0.03   0.03   0.01
     9   1    -0.45   0.11  -0.18    -0.09   0.08   0.12     0.08   0.05  -0.09
    10   1    -0.11  -0.07  -0.00    -0.01  -0.01  -0.05     0.03   0.00   0.18
    11   1     0.07  -0.01   0.13     0.00   0.28   0.13    -0.00  -0.09  -0.04
    12   1     0.23   0.35   0.09     0.44   0.17  -0.16     0.41   0.36  -0.02
    13   1     0.05  -0.11   0.05     0.58   0.37   0.07     0.36   0.04   0.10
    14   1     0.04   0.01   0.09    -0.02   0.02  -0.06    -0.06  -0.02   0.13
    15   1     0.07   0.04   0.35    -0.01   0.05   0.02    -0.09  -0.10  -0.38
    16   1     0.06   0.04   0.15     0.01   0.05   0.12    -0.08  -0.06   0.00
    17   1     0.18   0.14  -0.09     0.14  -0.01  -0.04    -0.32   0.04   0.09
    18   1    -0.17   0.03   0.09     0.09  -0.01  -0.01    -0.26   0.01   0.05
    19   1     0.21   0.11  -0.09    -0.01  -0.02   0.04     0.14   0.07  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    941.0997               960.0255               978.1314
 Red. masses --      1.2075                 2.0674                 1.7240
 Frc consts  --      0.6301                 1.1227                 0.9718
 IR Inten    --      6.8293                17.1140                 6.3616
 RamAct Fr= 1--      0.5495                 5.0629                 2.4292
  Dep-P Fr= 1--      0.3367                 0.6683                 0.7165
  Dep-U Fr= 1--      0.5038                 0.8012                 0.8348
 Alpha2 Fr= 1--      0.0050                 0.0073                 0.0014
 Beta2  Fr= 1--      0.0461                 0.6761                 0.3380
 AlphaG Fr= 1--     -0.0074                -0.0112                -0.0063
 Gamma2 Fr= 1--      0.1679                -0.7910                 0.4492
 Delta2 Fr= 1--      0.2181                -0.1320                 0.2404
 Raman1 Fr= 1--       2.198                 20.252                  9.717
 ROA1   Fr= 1--      23.095                -80.164                 50.815
 CID1   Fr= 1--      10.508                 -3.958                  5.230
 Raman2 Fr= 1--       0.554                  8.113                  4.056
 ROA2   Fr= 1--       2.284                -17.928                  8.858
 CID2   Fr= 1--       4.124                 -2.210                  2.184
 Raman3 Fr= 1--       1.107                 16.225                  8.112
 ROA3   Fr= 1--      23.095                -80.164                 50.815
 CID3   Fr= 1--      20.856                 -4.941                  6.265
 RC180  Fr= 1--       0.008                  0.602                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.05     0.08  -0.03  -0.06    -0.12   0.03  -0.04
     2   6     0.01  -0.00  -0.03    -0.11   0.03  -0.01     0.02   0.02  -0.10
     3   6    -0.03  -0.02   0.03     0.20   0.04   0.02     0.11   0.03  -0.02
     4   6    -0.01   0.01  -0.03    -0.02   0.02   0.02    -0.01   0.01   0.02
     5   8     0.00   0.00   0.01    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01
     6   6     0.05   0.06   0.01    -0.07   0.03   0.02     0.07  -0.04   0.10
     7   7     0.02   0.01   0.00    -0.07  -0.09  -0.01    -0.04  -0.05  -0.01
     8   8     0.01  -0.01  -0.00    -0.03   0.02   0.04    -0.02   0.02   0.02
     9   1    -0.07  -0.00   0.03     0.34   0.11   0.01     0.19   0.06  -0.02
    10   1    -0.14  -0.03   0.32    -0.41   0.13   0.01    -0.01   0.08  -0.32
    11   1     0.00   0.03   0.02    -0.01  -0.12  -0.05    -0.01  -0.08  -0.04
    12   1    -0.09  -0.08  -0.00     0.11  -0.09  -0.13     0.07  -0.00  -0.04
    13   1    -0.07   0.02  -0.02     0.19   0.08   0.02     0.08  -0.02   0.01
    14   1    -0.06  -0.02   0.48     0.11  -0.04   0.04    -0.13   0.08  -0.08
    15   1    -0.09  -0.18  -0.33     0.11  -0.03   0.34    -0.08   0.13  -0.12
    16   1    -0.14  -0.14  -0.01     0.06  -0.04  -0.35    -0.00   0.14   0.53
    17   1     0.39   0.19  -0.12     0.18   0.18  -0.11     0.28  -0.06  -0.04
    18   1    -0.29  -0.01   0.30    -0.20   0.04   0.09     0.09  -0.05   0.11
    19   1    -0.00   0.11   0.15     0.26   0.16  -0.10    -0.42  -0.11   0.32
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1076.0223              1096.4324              1130.8188
 Red. masses --      1.5858                 1.6217                 2.9467
 Frc consts  --      1.0818                 1.1487                 2.2201
 IR Inten    --     18.4083                 9.0902               255.0668
 RamAct Fr= 1--      3.9247                 4.9451                 1.6416
  Dep-P Fr= 1--      0.3260                 0.5433                 0.6684
  Dep-U Fr= 1--      0.4917                 0.7041                 0.8012
 Alpha2 Fr= 1--      0.0372                 0.0196                 0.0024
 Beta2  Fr= 1--      0.3216                 0.5803                 0.2192
 AlphaG Fr= 1--     -0.0145                -0.0114                -0.0093
 Gamma2 Fr= 1--      0.5743                -1.0446                 0.0925
 Delta2 Fr= 1--      0.4125                -0.6202                -0.1962
 Raman1 Fr= 1--      15.699                 19.781                  6.566
 ROA1   Fr= 1--      68.331               -120.125                  2.602
 CID1   Fr= 1--       4.353                 -6.073                  0.396
 Raman2 Fr= 1--       3.859                  6.963                  2.631
 ROA2   Fr= 1--      10.483                -20.108                  3.789
 CID2   Fr= 1--       2.716                 -2.888                  1.440
 Raman3 Fr= 1--       7.718                 13.927                  5.261
 ROA3   Fr= 1--      68.331               -120.125                  2.602
 CID3   Fr= 1--       8.853                 -8.625                  0.494
 RC180  Fr= 1--      -0.017                  0.408                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.01    -0.02  -0.04   0.09    -0.00  -0.05   0.02
     2   6     0.03  -0.09  -0.07     0.07   0.01  -0.13     0.00   0.07  -0.05
     3   6     0.06  -0.10  -0.03    -0.01   0.08   0.03    -0.00  -0.07  -0.01
     4   6    -0.01   0.01  -0.00    -0.01   0.02  -0.02    -0.15  -0.21  -0.04
     5   8     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.02   0.21   0.12
     6   6    -0.05   0.08   0.04     0.01   0.03   0.06     0.01  -0.02   0.02
     7   7    -0.04   0.07   0.03     0.03  -0.09  -0.00     0.02   0.04   0.02
     8   8    -0.01   0.00   0.01     0.01  -0.00   0.00     0.06  -0.04  -0.06
     9   1    -0.02   0.18  -0.07    -0.33   0.49  -0.03     0.27   0.16  -0.04
    10   1     0.43  -0.25   0.09     0.07   0.03  -0.22    -0.01   0.08  -0.13
    11   1     0.01  -0.05  -0.02    -0.00   0.06   0.04     0.01  -0.63  -0.43
    12   1     0.08   0.01  -0.11    -0.22  -0.42  -0.12    -0.00  -0.04  -0.05
    13   1     0.23   0.31   0.05    -0.08   0.12  -0.08     0.09   0.20   0.00
    14   1     0.16  -0.06   0.26     0.03  -0.00   0.17    -0.03   0.02  -0.04
    15   1     0.09  -0.12   0.23     0.02  -0.02   0.06    -0.01   0.06   0.01
    16   1    -0.00  -0.12  -0.38     0.00  -0.01   0.00     0.03   0.04   0.09
    17   1     0.02  -0.12   0.02    -0.36   0.01   0.10    -0.08   0.08   0.00
    18   1     0.18  -0.03  -0.03    -0.18   0.02  -0.06    -0.19   0.01   0.03
    19   1    -0.26  -0.13   0.12     0.18   0.03  -0.18     0.14   0.06  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1169.7343              1210.9398              1241.3933
 Red. masses --      1.8268                 1.9872                 1.8436
 Frc consts  --      1.4727                 1.7169                 1.6739
 IR Inten    --      3.4251                 0.3525                 9.5964
 RamAct Fr= 1--      3.8504                 2.3584                 1.3186
  Dep-P Fr= 1--      0.5170                 0.5369                 0.6213
  Dep-U Fr= 1--      0.6816                 0.6987                 0.7664
 Alpha2 Fr= 1--      0.0175                 0.0097                 0.0031
 Beta2  Fr= 1--      0.4374                 0.2746                 0.1684
 AlphaG Fr= 1--     -0.0229                 0.0021                -0.0032
 Gamma2 Fr= 1--      0.2499                -0.2893                -0.2424
 Delta2 Fr= 1--     -0.0016                 0.4372                 0.0606
 Raman1 Fr= 1--      15.401                  9.434                  5.274
 ROA1   Fr= 1--      23.941                -13.782                -21.329
 CID1   Fr= 1--       1.554                 -1.461                 -4.044
 Raman2 Fr= 1--       5.249                  3.296                  2.021
 ROA2   Fr= 1--       6.011                -10.441                 -6.302
 CID2   Fr= 1--       1.145                 -3.168                 -3.118
 Raman3 Fr= 1--      10.498                  6.591                  4.042
 ROA3   Fr= 1--      23.941                -13.782                -21.329
 CID3   Fr= 1--       2.280                 -2.091                 -5.276
 RC180  Fr= 1--       0.363                  0.397                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02    -0.08  -0.05  -0.08    -0.02   0.04   0.01
     2   6    -0.10  -0.10   0.10     0.17   0.04   0.10     0.04  -0.12  -0.03
     3   6    -0.01   0.12  -0.05    -0.05   0.11  -0.01     0.02   0.15   0.11
     4   6     0.01  -0.06   0.05    -0.01  -0.03   0.00    -0.02  -0.02  -0.02
     5   8    -0.01   0.03   0.01    -0.00   0.01   0.00    -0.02   0.03   0.03
     6   6     0.05   0.00  -0.05    -0.11  -0.05  -0.03    -0.02   0.08   0.00
     7   7     0.01  -0.07  -0.00     0.02  -0.05  -0.02    -0.00  -0.03  -0.08
     8   8    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.02  -0.02  -0.02
     9   1     0.22   0.50  -0.10     0.01   0.26  -0.02     0.01  -0.25   0.17
    10   1    -0.03  -0.16   0.33     0.32  -0.03   0.22    -0.06  -0.04  -0.24
    11   1    -0.01  -0.11  -0.07    -0.00  -0.03  -0.02    -0.02  -0.28  -0.18
    12   1    -0.16  -0.32  -0.11    -0.09  -0.12   0.00     0.09   0.32   0.18
    13   1    -0.01   0.14  -0.06    -0.08  -0.05  -0.05    -0.20  -0.52  -0.01
    14   1    -0.09   0.01   0.09     0.15  -0.05  -0.35     0.11  -0.03   0.25
    15   1    -0.05  -0.06  -0.25     0.07   0.08   0.31     0.05  -0.15   0.06
    16   1    -0.10  -0.07   0.09     0.15   0.09  -0.23    -0.06  -0.08  -0.20
    17   1     0.05  -0.13   0.02     0.32   0.09  -0.12    -0.02  -0.11   0.03
    18   1     0.36   0.00  -0.14    -0.15  -0.06   0.29     0.13  -0.01  -0.03
    19   1    -0.12  -0.10   0.01    -0.13   0.08   0.24    -0.11  -0.07   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1277.7713              1340.2608              1368.8257
 Red. masses --      1.2840                 1.7933                 1.3765
 Frc consts  --      1.2352                 1.8980                 1.5196
 IR Inten    --      1.0357                26.3123                 2.4516
 RamAct Fr= 1--      8.2249                 3.5464                 4.7206
  Dep-P Fr= 1--      0.6152                 0.6092                 0.5836
  Dep-U Fr= 1--      0.7618                 0.7571                 0.7370
 Alpha2 Fr= 1--      0.0203                 0.0092                 0.0147
 Beta2  Fr= 1--      1.0443                 0.4475                 0.5799
 AlphaG Fr= 1--     -0.0047                 0.0143                 0.0571
 Gamma2 Fr= 1--     -1.8659                 1.5203                -0.0037
 Delta2 Fr= 1--     -1.0021                -0.3659                -0.0608
 Raman1 Fr= 1--      32.900                 14.185                 18.883
 ROA1   Fr= 1--    -211.189                134.240                 -2.302
 CID1   Fr= 1--      -6.419                  9.463                 -0.122
 Raman2 Fr= 1--      12.531                  5.370                  6.959
 ROA2   Fr= 1--     -36.764                 39.415                  0.398
 CID2   Fr= 1--      -2.934                  7.340                  0.057
 Raman3 Fr= 1--      25.062                 10.740                 13.917
 ROA3   Fr= 1--    -211.189                134.240                 -2.302
 CID3   Fr= 1--      -8.427                 12.499                 -0.165
 RC180  Fr= 1--       0.524                  0.514                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01     0.01   0.02   0.01     0.01  -0.06   0.00
     2   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04    -0.14   0.05  -0.01
     3   6    -0.10   0.02  -0.01     0.09  -0.02   0.05     0.04   0.04   0.04
     4   6    -0.01  -0.07   0.03    -0.14  -0.15  -0.04     0.01   0.02   0.00
     5   8     0.03  -0.01  -0.03     0.06   0.02  -0.02    -0.01  -0.01   0.00
     6   6    -0.00   0.04   0.01    -0.00  -0.03   0.00     0.03  -0.02  -0.01
     7   7     0.01  -0.00   0.00    -0.01   0.01  -0.05    -0.01  -0.01  -0.03
     8   8    -0.02   0.04   0.02     0.00   0.04   0.03     0.00  -0.01  -0.00
     9   1     0.79  -0.08   0.02    -0.23   0.33  -0.00    -0.02   0.02   0.05
    10   1     0.17  -0.01  -0.29    -0.07  -0.06   0.38     0.86  -0.26   0.01
    11   1     0.03   0.37   0.22     0.06   0.55   0.35    -0.01  -0.08  -0.05
    12   1    -0.04  -0.03   0.01     0.10   0.25   0.09     0.05   0.10   0.03
    13   1    -0.02   0.04  -0.02    -0.07  -0.30   0.01    -0.03  -0.17   0.01
    14   1     0.03  -0.01   0.14    -0.03   0.00  -0.07    -0.12   0.03   0.02
    15   1     0.03  -0.05   0.03    -0.01   0.05   0.01    -0.01   0.07  -0.04
    16   1    -0.03  -0.03  -0.05     0.03   0.02   0.03    -0.04  -0.02   0.09
    17   1    -0.01   0.02  -0.00    -0.05  -0.03   0.02     0.04   0.16  -0.05
    18   1    -0.08  -0.00   0.01     0.03   0.02  -0.04    -0.10  -0.01  -0.04
    19   1     0.05   0.01  -0.04    -0.05  -0.05   0.00     0.15   0.09  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1376.7611              1402.9148              1416.8904
 Red. masses --      1.4342                 1.2664                 1.3358
 Frc consts  --      1.6017                 1.4686                 1.5800
 IR Inten    --      3.9149                 8.1929                 0.1693
 RamAct Fr= 1--      2.7543                 0.3896                 2.1033
  Dep-P Fr= 1--      0.7423                 0.6159                 0.5342
  Dep-U Fr= 1--      0.8521                 0.7623                 0.6964
 Alpha2 Fr= 1--      0.0004                 0.0010                 0.0088
 Beta2  Fr= 1--      0.3911                 0.0495                 0.2441
 AlphaG Fr= 1--     -0.0014                -0.0017                 0.0221
 Gamma2 Fr= 1--     -1.1333                -0.2299                 0.2590
 Delta2 Fr= 1--      0.2921                 0.0056                -0.0547
 Raman1 Fr= 1--      11.017                  1.558                  8.413
 ROA1   Fr= 1--     -99.452                -21.894                 23.111
 CID1   Fr= 1--      -9.027                -14.050                  2.747
 Raman2 Fr= 1--       4.694                  0.594                  2.929
 ROA2   Fr= 1--     -29.537                 -5.564                  6.653
 CID2   Fr= 1--      -6.293                 -9.367                  2.271
 Raman3 Fr= 1--       9.388                  1.188                  5.859
 ROA3   Fr= 1--     -99.452                -21.894                 23.111
 CID3   Fr= 1--     -10.594                -18.431                  3.945
 RC180  Fr= 1--       0.704                  0.525                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.03    -0.10  -0.01   0.06     0.05   0.00  -0.02
     2   6     0.02   0.02  -0.15     0.02   0.00  -0.05    -0.00   0.01  -0.00
     3   6    -0.04   0.02   0.03    -0.01   0.01   0.01    -0.04  -0.08   0.04
     4   6     0.04   0.05   0.01     0.00   0.00  -0.00     0.05   0.05   0.02
     5   8    -0.02  -0.01   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
     6   6    -0.02  -0.05  -0.00     0.00  -0.00   0.08     0.02   0.01   0.08
     7   7     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.01  -0.05
     8   8    -0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.00
     9   1     0.36  -0.14   0.06     0.06  -0.09   0.02     0.23   0.54  -0.03
    10   1    -0.06  -0.13   0.75    -0.03  -0.03   0.17    -0.06   0.04  -0.04
    11   1    -0.02  -0.15  -0.09    -0.00  -0.01  -0.00    -0.01  -0.12  -0.07
    12   1     0.00   0.02   0.01    -0.00  -0.00   0.00     0.05   0.23   0.12
    13   1    -0.03  -0.06  -0.00     0.00   0.01  -0.00    -0.09  -0.18  -0.03
    14   1     0.01  -0.06   0.02     0.02   0.08  -0.30    -0.04   0.13  -0.35
    15   1     0.05   0.13   0.20    -0.15  -0.04  -0.23    -0.16  -0.08  -0.29
    16   1     0.08   0.14   0.17     0.07  -0.10  -0.26     0.01  -0.18  -0.30
    17   1    -0.16  -0.04   0.05     0.41   0.11  -0.01    -0.17  -0.03   0.01
    18   1    -0.09   0.07  -0.08     0.41  -0.12  -0.28    -0.18   0.06   0.08
    19   1    -0.08  -0.13  -0.04     0.31   0.21  -0.31    -0.12  -0.10   0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.1330              1488.0580              1497.4319
 Red. masses --      1.3186                 1.0412                 1.0499
 Frc consts  --      1.5846                 1.3584                 1.3871
 IR Inten    --     10.9243                 1.4656                 2.2556
 RamAct Fr= 1--      1.4647                 6.8822                 2.0627
  Dep-P Fr= 1--      0.6221                 0.7499                 0.7356
  Dep-U Fr= 1--      0.7670                 0.8571                 0.8476
 Alpha2 Fr= 1--      0.0034                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1872                 0.9831                 0.2914
 AlphaG Fr= 1--      0.0042                 0.0006                 0.0035
 Gamma2 Fr= 1--     -0.0657                -0.0286                 0.1736
 Delta2 Fr= 1--      0.4235                -0.3811                 0.1568
 Raman1 Fr= 1--       5.859                 27.529                  8.251
 ROA1   Fr= 1--       7.247                -14.942                 21.684
 CID1   Fr= 1--       1.237                 -0.543                  2.628
 Raman2 Fr= 1--       2.247                 11.797                  3.497
 ROA2   Fr= 1--      -4.965                  2.362                  2.912
 CID2   Fr= 1--      -2.209                  0.200                  0.833
 Raman3 Fr= 1--       4.494                 23.594                  6.993
 ROA3   Fr= 1--       7.247                -14.942                 21.684
 CID3   Fr= 1--       1.613                 -0.633                  3.101
 RC180  Fr= 1--       0.534                  0.714                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.02     0.01  -0.04  -0.01    -0.01   0.00  -0.04
     2   6     0.01   0.01   0.02     0.01  -0.00  -0.02     0.00  -0.01  -0.03
     3   6    -0.03  -0.09   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.03   0.04   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   8    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01  -0.09     0.00   0.03  -0.00     0.02  -0.02   0.01
     7   7     0.00   0.01  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.12   0.52  -0.04     0.02  -0.03   0.00     0.03  -0.04   0.01
    10   1    -0.11   0.07  -0.09    -0.05  -0.01   0.08    -0.03  -0.02   0.03
    11   1    -0.01  -0.07  -0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.06   0.20   0.09    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    13   1    -0.08  -0.16  -0.02     0.01   0.01   0.00    -0.00   0.02  -0.00
    14   1     0.01  -0.11   0.33     0.10   0.04  -0.23    -0.35   0.09   0.12
    15   1     0.17   0.05   0.29     0.13  -0.39   0.11    -0.02   0.36   0.05
    16   1    -0.06   0.15   0.30    -0.26  -0.14   0.19     0.04  -0.10  -0.20
    17   1     0.22   0.06  -0.02    -0.30   0.42  -0.07    -0.32  -0.18   0.03
    18   1     0.26  -0.09  -0.09     0.23  -0.07  -0.17     0.33  -0.16   0.41
    19   1     0.18   0.17  -0.12    -0.00   0.26   0.44     0.20   0.38   0.20
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6994              1516.2041              1674.8605
 Red. masses --      1.0433                 1.0564                 1.0875
 Frc consts  --      1.3954                 1.4308                 1.7974
 IR Inten    --      8.9641                 6.9553                32.7693
 RamAct Fr= 1--      2.5287                 2.9757                 2.3647
  Dep-P Fr= 1--      0.7400                 0.7448                 0.5481
  Dep-U Fr= 1--      0.8506                 0.8537                 0.7081
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0091
 Beta2  Fr= 1--      0.3585                 0.4234                 0.2791
 AlphaG Fr= 1--      0.0023                -0.0000                -0.0057
 Gamma2 Fr= 1--     -0.2221                -0.4757                -0.3167
 Delta2 Fr= 1--      0.3740                -0.1387                 0.0794
 Raman1 Fr= 1--      10.115                 11.903                  9.459
 ROA1   Fr= 1--      -9.351                -50.103                -27.867
 CID1   Fr= 1--      -0.925                 -4.209                 -2.946
 Raman2 Fr= 1--       4.302                  5.081                  3.349
 ROA2   Fr= 1--      -8.322                -10.307                 -8.237
 CID2   Fr= 1--      -1.935                 -2.029                 -2.459
 Raman3 Fr= 1--       8.604                 10.162                  6.698
 ROA3   Fr= 1--      -9.351                -50.103                -27.867
 CID3   Fr= 1--      -1.087                 -4.931                 -4.161
 RC180  Fr= 1--       0.701                  0.707                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.00   0.01  -0.03    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.03   0.01    -0.03   0.01   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.07  -0.01
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
    10   1    -0.03  -0.01  -0.06     0.07  -0.02   0.03     0.03  -0.02   0.02
    11   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.01  -0.01  -0.03    -0.16   0.40   0.53
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.27   0.62  -0.25
    14   1     0.23  -0.16   0.26     0.52  -0.16  -0.08     0.04  -0.02   0.01
    15   1    -0.22   0.27  -0.28    -0.08  -0.35  -0.22    -0.00  -0.02  -0.01
    16   1     0.43   0.35  -0.14     0.12   0.26   0.21     0.01   0.03   0.02
    17   1    -0.14   0.36  -0.06    -0.11  -0.34   0.06    -0.00  -0.00   0.00
    18   1     0.08  -0.00  -0.25     0.12  -0.08   0.41     0.00  -0.00   0.00
    19   1    -0.07   0.07   0.28     0.17   0.17  -0.08     0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1804.6923              3030.9745              3035.2467
 Red. masses --      9.8723                 1.0370                 1.0362
 Frc consts  --     18.9441                 5.6128                 5.6244
 IR Inten    --    274.2981                35.6448                13.5474
 RamAct Fr= 1--     14.2312                22.2181               270.3916
  Dep-P Fr= 1--      0.1985                 0.2388                 0.0079
  Dep-U Fr= 1--      0.3312                 0.3855                 0.0156
 Alpha2 Fr= 1--      0.1940                 0.2717                 5.8993
 Beta2  Fr= 1--      0.7856                 1.4275                 0.7031
 AlphaG Fr= 1--     -0.0242                -0.0025                -0.3232
 Gamma2 Fr= 1--     -0.4645                -1.5728                 0.3052
 Delta2 Fr= 1--     -0.0129                -0.8541                 0.2911
 Raman1 Fr= 1--      56.925                 88.872               1081.566
 ROA1   Fr= 1--     -45.009               -178.318                 38.617
 CID1   Fr= 1--      -0.791                 -2.006                  0.036
 Raman2 Fr= 1--       9.427                 17.130                  8.437
 ROA2   Fr= 1--     -11.046                -30.914                  4.997
 CID2   Fr= 1--      -1.172                 -1.805                  0.592
 Raman3 Fr= 1--      18.854                 34.260                 16.874
 ROA3   Fr= 1--     -45.009               -178.318                 38.617
 CID3   Fr= 1--      -2.387                 -5.205                  2.288
 RC180  Fr= 1--      -0.338                 -0.229                 -0.969
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.00  -0.03     0.02  -0.00  -0.02
     2   6     0.01  -0.01   0.00     0.00   0.01   0.00     0.00   0.01   0.00
     3   6     0.04   0.00  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6    -0.45   0.30   0.47     0.00   0.00   0.00    -0.00   0.00   0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.04
     7   7    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.26  -0.22  -0.30     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.19   0.03  -0.02     0.00  -0.00  -0.01     0.00  -0.01  -0.06
    10   1     0.01  -0.00  -0.00    -0.05  -0.16  -0.03    -0.02  -0.07  -0.01
    11   1     0.03   0.40   0.25     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.03  -0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1    -0.05  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00   0.00     0.11   0.30   0.07    -0.16  -0.46  -0.10
    15   1    -0.02   0.03  -0.01    -0.26  -0.05   0.13     0.46   0.08  -0.24
    16   1     0.02  -0.00  -0.04     0.18  -0.18   0.09    -0.30   0.30  -0.15
    17   1     0.00   0.01  -0.00     0.05   0.10   0.55     0.03   0.06   0.35
    18   1    -0.01   0.00  -0.00    -0.10  -0.35  -0.05    -0.06  -0.21  -0.03
    19   1    -0.02  -0.01   0.02    -0.35   0.30  -0.20    -0.20   0.18  -0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.6347              3056.3575              3089.1132
 Red. masses --      1.0816                 1.0838                 1.1015
 Frc consts  --      5.8876                 5.9651                 6.1929
 IR Inten    --      8.0484                14.3934                29.9894
 RamAct Fr= 1--     92.5553               109.4434                66.8470
  Dep-P Fr= 1--      0.2925                 0.0989                 0.7443
  Dep-U Fr= 1--      0.4526                 0.1800                 0.8534
 Alpha2 Fr= 1--      0.9706                 1.9215                 0.0065
 Beta2  Fr= 1--      6.9823                 3.2824                 9.5078
 AlphaG Fr= 1--      0.0150                -0.1138                -0.0216
 Gamma2 Fr= 1--      1.0791                -3.7610                 0.3092
 Delta2 Fr= 1--      1.8723                -3.9121                 0.8410
 Raman1 Fr= 1--     370.221                437.774                267.388
 ROA1   Fr= 1--     163.505               -486.245                 56.599
 CID1   Fr= 1--       0.442                 -1.111                  0.212
 Raman2 Fr= 1--      83.788                 39.389                114.094
 ROA2   Fr= 1--      10.920                -58.968                  0.694
 CID2   Fr= 1--       0.130                 -1.497                  0.006
 Raman3 Fr= 1--     167.575                 78.779                228.188
 ROA3   Fr= 1--     163.505               -486.245                 56.599
 CID3   Fr= 1--       0.976                 -6.172                  0.248
 RC180  Fr= 1--      -0.095                 -0.640                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.01   0.00   0.00    -0.05   0.02  -0.08
     2   6    -0.02  -0.07  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.02     0.00  -0.01  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.03  -0.19    -0.02   0.13   0.96     0.00   0.01   0.06
    10   1     0.27   0.88   0.18     0.05   0.16   0.03     0.01   0.03   0.01
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.03  -0.10  -0.02    -0.02  -0.06  -0.01     0.01   0.01   0.00
    15   1    -0.08  -0.01   0.04     0.02   0.00  -0.01    -0.10  -0.02   0.06
    16   1     0.07  -0.06   0.03     0.01  -0.01   0.00    -0.08   0.08  -0.04
    17   1     0.01   0.02   0.08    -0.00   0.00   0.00     0.04   0.13   0.66
    18   1    -0.05  -0.19  -0.03    -0.02  -0.07  -0.01     0.01   0.09  -0.01
    19   1    -0.05   0.05  -0.03    -0.05   0.04  -0.03     0.49  -0.43   0.26
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3096.5835              3097.4476              3112.4266
 Red. masses --      1.1017                 1.1013                 1.1005
 Frc consts  --      6.2241                 6.2253                 6.2812
 IR Inten    --     30.1139                20.5848                25.4108
 RamAct Fr= 1--     59.1692                48.8128                44.7781
  Dep-P Fr= 1--      0.7367                 0.5526                 0.7206
  Dep-U Fr= 1--      0.8484                 0.7118                 0.8376
 Alpha2 Fr= 1--      0.0135                 0.1839                 0.0227
 Beta2  Fr= 1--      8.3661                 5.7912                 6.2510
 AlphaG Fr= 1--      0.0527                -0.0885                -0.0608
 Gamma2 Fr= 1--    -10.0657                12.3358                -3.7837
 Delta2 Fr= 1--     -4.5297                 9.0954                -3.4388
 Raman1 Fr= 1--     236.677                195.251                179.112
 ROA1   Fr= 1--   -1111.254               1475.288               -473.280
 CID1   Fr= 1--      -4.695                  7.556                 -2.642
 Raman2 Fr= 1--     100.394                 69.494                 75.012
 ROA2   Fr= 1--    -205.339                223.295                -63.299
 CID2   Fr= 1--      -2.045                  3.213                 -0.844
 Raman3 Fr= 1--     200.787                138.988                150.023
 ROA3   Fr= 1--   -1111.254               1475.288               -473.280
 CID3   Fr= 1--      -5.534                 10.614                 -3.155
 RC180  Fr= 1--       0.697                  0.424                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.00   0.02   0.01    -0.00  -0.09  -0.02
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.09  -0.01   0.01     0.01  -0.09   0.01    -0.00  -0.02   0.00
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.02
    10   1     0.02   0.06   0.01     0.04   0.12   0.03     0.05   0.15   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.10   0.34   0.08     0.23   0.62   0.16     0.05   0.13   0.03
    15   1     0.67   0.12  -0.36     0.08  -0.01  -0.04     0.03   0.00  -0.02
    16   1     0.30  -0.33   0.18    -0.45   0.43  -0.24    -0.07   0.07  -0.04
    17   1     0.01   0.02   0.08    -0.01  -0.01  -0.10     0.02   0.03   0.25
    18   1    -0.01  -0.01  -0.01    -0.05  -0.18  -0.02     0.25   0.81   0.11
    19   1     0.09  -0.08   0.04     0.00  -0.00   0.01    -0.26   0.21  -0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3496.2800              3564.7211              3720.2841
 Red. masses --      1.0496                 1.0918                 1.0641
 Frc consts  --      7.5594                 8.1745                 8.6773
 IR Inten    --      2.3051                 5.7715                56.4598
 RamAct Fr= 1--    101.1514                51.0510               147.3817
  Dep-P Fr= 1--      0.0789                 0.6086                 0.2332
  Dep-U Fr= 1--      0.1463                 0.7567                 0.3782
 Alpha2 Fr= 1--      1.8641                 0.1329                 1.8301
 Beta2  Fr= 1--      2.4667                 6.4384                 9.2898
 AlphaG Fr= 1--      0.1375                 0.1195                -0.0329
 Gamma2 Fr= 1--      0.7581                -0.3280                -2.2864
 Delta2 Fr= 1--     -0.5094                 1.1006                -0.8147
 Raman1 Fr= 1--     404.606                204.204                589.527
 ROA1   Fr= 1--      56.482                  3.731               -245.565
 CID1   Fr= 1--       0.140                  0.018                 -0.417
 Raman2 Fr= 1--      29.601                 77.260                111.477
 ROA2   Fr= 1--      22.270                -16.677                -48.356
 CID2   Fr= 1--       0.752                 -0.216                 -0.434
 Raman3 Fr= 1--      59.202                154.521                222.955
 ROA3   Fr= 1--      56.482                  3.731               -245.565
 CID3   Fr= 1--       0.954                  0.024                 -1.101
 RC180  Fr= 1--      -0.707                  0.513                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   7     0.03  -0.04  -0.02    -0.01   0.02  -0.08    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.01     0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.89   0.25  -0.38
    12   1    -0.30   0.37  -0.42     0.40  -0.46   0.48     0.00  -0.00   0.00
    13   1    -0.20   0.17   0.73    -0.19   0.15   0.58    -0.00  -0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   614.082141259.071801357.05588
           X            0.99993  -0.00953   0.00661
           Y            0.00999   0.99727  -0.07313
           Z           -0.00589   0.07319   0.99730
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14105     0.06879     0.06382
 Rotational constants (GHZ):           2.93892     1.43339     1.32989
 Zero-point vibrational energy     431224.1 (Joules/Mol)
                                  103.06504 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     74.99   119.19   254.89   266.74   313.46
          (Kelvin)            369.33   373.23   422.14   493.08   569.82
                              634.00   821.09   876.84   944.55  1032.28
                             1205.26  1215.23  1310.97  1354.03  1381.26
                             1407.31  1548.16  1577.52  1627.00  1682.99
                             1742.27  1786.09  1838.43  1928.34  1969.43
                             1980.85  2018.48  2038.59  2054.76  2140.98
                             2154.47  2167.80  2181.48  2409.75  2596.55
                             4360.90  4367.04  4373.36  4397.42  4444.54
                             4455.29  4456.54  4478.09  5030.37  5128.84
                             5352.66
 
 Zero-point correction=                           0.164245 (Hartree/Particle)
 Thermal correction to Energy=                    0.173815
 Thermal correction to Enthalpy=                  0.174759
 Thermal correction to Gibbs Free Energy=         0.129854
 Sum of electronic and zero-point Energies=           -402.407378
 Sum of electronic and thermal Energies=              -402.397808
 Sum of electronic and thermal Enthalpies=            -402.396864
 Sum of electronic and thermal Free Energies=         -402.441769
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.070             34.449             94.510
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.441
 Vibrational            107.293             28.488             25.880
 Vibration     1          0.596              1.977              4.735
 Vibration     2          0.600              1.961              3.822
 Vibration     3          0.628              1.870              2.358
 Vibration     4          0.631              1.860              2.273
 Vibration     5          0.646              1.814              1.977
 Vibration     6          0.666              1.751              1.684
 Vibration     7          0.668              1.747              1.666
 Vibration     8          0.688              1.686              1.454
 Vibration     9          0.722              1.590              1.200
 Vibration    10          0.763              1.479              0.977
 Vibration    11          0.801              1.381              0.825
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.968              1.012              0.434
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.186724D-59        -59.728799       -137.530643
 Total V=0       0.658268D+16         15.818403         36.423218
 Vib (Bot)       0.102269D-72        -72.990255       -168.066272
 Vib (Bot)    1  0.396530D+01          0.598276          1.377581
 Vib (Bot)    2  0.248490D+01          0.395308          0.910231
 Vib (Bot)    3  0.113482D+01          0.054927          0.126475
 Vib (Bot)    4  0.108132D+01          0.033953          0.078180
 Vib (Bot)    5  0.908739D+00         -0.041561         -0.095697
 Vib (Bot)    6  0.757890D+00         -0.120394         -0.277218
 Vib (Bot)    7  0.748970D+00         -0.125536         -0.289057
 Vib (Bot)    8  0.650559D+00         -0.186713         -0.429923
 Vib (Bot)    9  0.540883D+00         -0.266897         -0.614553
 Vib (Bot)   10  0.451343D+00         -0.345494         -0.795529
 Vib (Bot)   11  0.392099D+00         -0.406604         -0.936241
 Vib (Bot)   12  0.269502D+00         -0.569438         -1.311180
 Vib (Bot)   13  0.242632D+00         -0.615052         -1.416210
 Vib (V=0)       0.360535D+03          2.556947          5.887589
 Vib (V=0)    1  0.449670D+01          0.652894          1.503343
 Vib (V=0)    2  0.303470D+01          0.482116          1.110113
 Vib (V=0)    3  0.174009D+01          0.240571          0.553936
 Vib (V=0)    4  0.169132D+01          0.228226          0.525510
 Vib (V=0)    5  0.153721D+01          0.186733          0.429970
 Vib (V=0)    6  0.140796D+01          0.148591          0.342144
 Vib (V=0)    7  0.140053D+01          0.146293          0.336851
 Vib (V=0)    8  0.132050D+01          0.120740          0.278014
 Vib (V=0)    9  0.123658D+01          0.092223          0.212352
 Vib (V=0)   10  0.117358D+01          0.069513          0.160059
 Vib (V=0)   11  0.113541D+01          0.055151          0.126991
 Vib (V=0)   12  0.106801D+01          0.028574          0.065794
 Vib (V=0)   13  0.105576D+01          0.023566          0.054262
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366676D+06          5.564283         12.812235
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 111 1111                                    
     7     5 4        10000000                                         8   6  5544444333 222 1100 9999 88   7 6 65   4 33222211      
     2     6 9        19985433                                         0   7  1098210764 741 7397 7641 43   1 5 07   4 94955187   85 
     0     5 6        27796051                                         5   5  6778873790 811 0166 8011 58   7 6 91   1 63397857   32 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXX XXXX XXXX XX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X      X      X X    X X XX           X       
     X                       X                                         X                      X      X X        XX           X       
     X                                                                 X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012529    0.000000199    0.000009767
      2        6          -0.000006492   -0.000002596   -0.000000510
      3        6          -0.000003156   -0.000000198   -0.000007929
      4        6          -0.000005821    0.000007975    0.000010555
      5        8           0.000003575    0.000001431   -0.000002015
      6        6           0.000002003   -0.000004070    0.000001705
      7        7          -0.000004159   -0.000001815    0.000002841
      8        8           0.000004452   -0.000001923   -0.000005583
      9        1          -0.000000600    0.000004108   -0.000001004
     10        1           0.000002080    0.000002478    0.000000747
     11        1           0.000000929    0.000001220   -0.000001207
     12        1          -0.000001816   -0.000000670    0.000001025
     13        1          -0.000001292   -0.000002610    0.000001469
     14        1          -0.000000058   -0.000001009   -0.000002250
     15        1           0.000001314   -0.000001223   -0.000002551
     16        1           0.000000968   -0.000001639   -0.000000352
     17        1           0.000000075    0.000005138   -0.000000645
     18        1          -0.000002436   -0.000001938   -0.000001968
     19        1          -0.000002095   -0.000002856   -0.000002092
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012529 RMS     0.000003826
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.878449D+02  0.337659D+00 -0.275121D+01
      2   0.337659D+00  0.773187D+02  0.187703D+01
      3  -0.275121D+01  0.187703D+01  0.745984D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.185109D+01  0.353433D+00  0.157222D+00
      2   0.602775D+01 -0.611512D+01  0.338890D+02
      3   0.684240D+01 -0.254521D+02  0.725560D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.705648D+02 -0.254129D+02  0.430891D+01
      2  -0.396318D+02  0.242752D+02 -0.120179D+02
      3  -0.309329D+02  0.113770D+01  0.770899D+01
      4  -0.239671D+02  0.393773D+02 -0.167208D+02
      5   0.112214D+02 -0.192050D+02  0.671262D+02
      6  -0.473735D+01 -0.366352D+00 -0.584064D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.583583D+00  0.219356D+01 -0.385942D+01  0.348373D+01 -0.397483D+01
      2   0.219356D+01 -0.323634D+01  0.679966D+00 -0.397483D+01 -0.325437D+01
      3  -0.385942D+01  0.679966D+00  0.148055D+01  0.470558D+00 -0.121993D+01
                 6             7             8             9            10 
      1   0.470558D+00 -0.508604D+01  0.976150D+00  0.880028D-01  0.166388D+01
      2  -0.121993D+01  0.976150D+00 -0.141678D+01  0.157963D+01 -0.202165D+01
      3   0.186589D+01  0.880028D-01  0.157963D+01  0.706862D+01  0.413003D+01
                11            12            13            14            15 
      1  -0.202165D+01  0.413003D+01 -0.539649D+01  0.397343D+01  0.445189D-01
      2   0.396701D+01 -0.139183D+00  0.397343D+01  0.457059D+01  0.211635D+01
      3  -0.139183D+00 -0.110356D+01  0.445189D-01  0.211635D+01 -0.847708D+00
                16            17            18            19            20 
      1   0.630877D+01 -0.468279D+00 -0.516517D+00 -0.239387D+01  0.564793D+01
      2  -0.468279D+00  0.245037D+01 -0.224385D+00  0.564793D+01 -0.701191D+00
      3  -0.516517D+00 -0.224385D+00 -0.585239D+01 -0.138341D+01  0.118574D+00
                21            22            23            24            25 
      1  -0.138341D+01  0.561363D+01 -0.105860D+01  0.327700D+00 -0.377752D+01
      2   0.118574D+00 -0.105860D+01 -0.994570D+00 -0.826952D+00 -0.312287D+00
      3  -0.328435D+00  0.327700D+00 -0.826952D+00  0.169221D+01 -0.428214D+00
                26            27            28            29            30 
      1  -0.312287D+00 -0.428214D+00 -0.881480D-01 -0.383431D+01 -0.742680D+00
      2  -0.205847D+01  0.119866D+01 -0.383431D+01  0.625105D+00  0.154208D+01
      3   0.119866D+01  0.620548D+01 -0.742680D+00  0.154208D+01  0.629748D+00
                31            32            33            34            35 
      1  -0.375180D+01 -0.867268D-01  0.194254D+01 -0.378961D+01  0.195744D+01
      2  -0.867268D-01 -0.542402D+00  0.662261D+00  0.195744D+01  0.350223D+00
      3   0.194254D+01  0.662261D+00 -0.139288D+01  0.144949D+01 -0.103084D+01
                36            37            38            39            40 
      1   0.144949D+01  0.586575D+01  0.203957D+01 -0.172845D+01  0.822818D+00
      2  -0.103084D+01  0.203957D+01  0.192134D+01 -0.747505D+00  0.453263D+00
      3  -0.262718D+01 -0.172845D+01 -0.747505D+00  0.423525D+00 -0.119073D+01
                41            42            43            44            45 
      1   0.453263D+00 -0.119073D+01 -0.308113D+01 -0.184168D+01 -0.845791D+00
      2  -0.394287D+01 -0.169573D+01 -0.184168D+01 -0.247528D+01 -0.163067D+01
      3  -0.169573D+01 -0.807227D+00 -0.845791D+00 -0.163067D+01 -0.250748D+01
                46            47            48            49            50 
      1   0.118875D+01  0.244987D+01 -0.467068D+01  0.269727D+01 -0.378691D+01
      2   0.244987D+01 -0.351654D+01  0.527856D+00 -0.378691D+01 -0.262618D+01
      3  -0.467068D+01  0.527856D+00  0.933980D+00  0.574167D+00 -0.311277D+01
                51            52            53            54            55 
      1   0.574167D+00 -0.382104D+01  0.318192D+00  0.776140D+00  0.173514D+01
      2  -0.311277D+01  0.318192D+00 -0.232943D+01  0.602851D+00 -0.142093D+01
      3   0.142500D+01  0.776140D+00  0.602851D+00  0.379486D+01  0.860251D+00
                56            57            58            59            60 
      1  -0.142093D+01  0.860251D+00 -0.913310D+00  0.270645D+01 -0.881348D+00
      2   0.368605D+01 -0.766536D+00  0.270645D+01  0.147914D+01  0.890252D+00
      3  -0.766536D+00  0.245756D+01 -0.881348D+00  0.890252D+00 -0.169836D+01
                61            62            63            64            65 
      1   0.121888D+01 -0.131446D+01  0.256516D+01 -0.681783D+01  0.263818D+01
      2  -0.131446D+01  0.107931D+01 -0.168912D+01  0.263818D+01 -0.241622D+01
      3   0.256516D+01 -0.168912D+01 -0.239813D+01  0.279880D+01 -0.123213D+01
                66            67            68            69            70 
      1   0.279880D+01  0.394632D+01 -0.225722D+01 -0.110909D+01  0.551629D+01
      2  -0.123213D+01 -0.225722D+01  0.417409D+01  0.166063D+01 -0.989691D+00
      3  -0.191719D+01 -0.110909D+01  0.166063D+01  0.185651D+01 -0.293261D+01
                71            72            73            74            75 
      1  -0.989691D+00 -0.293261D+01  0.509169D+00 -0.682836D+00 -0.995772D+00
      2   0.223309D+01  0.203547D+01 -0.682836D+00  0.240771D+00 -0.685856D-01
      3   0.203547D+01  0.565494D+01 -0.995772D+00 -0.685856D-01  0.171586D+00
                76            77            78            79            80 
      1  -0.129308D+01  0.278253D+00 -0.189220D-02 -0.135687D+01  0.354898D-01
      2   0.278253D+00  0.106853D+00 -0.108032D+01  0.354898D-01 -0.121424D+01
      3  -0.189220D-02 -0.108032D+01 -0.726257D+00  0.541330D-01 -0.266476D+00
                81            82            83            84            85 
      1   0.541330D-01 -0.138378D+01 -0.104298D+01 -0.849856D+00 -0.124398D+01
      2  -0.266476D+00 -0.104298D+01 -0.147704D+01  0.336442D-02 -0.130893D+01
      3  -0.847939D+01 -0.849856D+00  0.336442D-02 -0.256829D+00 -0.485984D-01
                86            87            88            89            90 
      1  -0.130893D+01 -0.485984D-01 -0.117057D+01 -0.453958D-01 -0.968921D-01
      2  -0.733910D+01 -0.114112D+01 -0.453958D-01 -0.111697D+01 -0.121761D+01
      3  -0.114112D+01 -0.145728D+01 -0.968921D-01 -0.121761D+01 -0.688033D-01
                91            92            93            94            95 
      1  -0.812688D+01 -0.430437D+01  0.389551D+00 -0.230247D+01 -0.208442D+01
      2  -0.430437D+01 -0.360911D+01  0.648926D-01 -0.208442D+01 -0.261293D+01
      3   0.389551D+00  0.648926D-01 -0.110810D+01  0.185213D+00  0.239903D-01
                96            97            98            99           100 
      1   0.185213D+00  0.256180D+01  0.148503D+01 -0.106942D+01 -0.943858D+00
      2   0.239903D-01  0.148503D+01  0.122773D+01 -0.647460D+00  0.183726D+01
      3  -0.568185D+00 -0.106942D+01 -0.647460D+00  0.360999D+00 -0.104432D+01
               101           102           103           104           105 
      1   0.183726D+01 -0.104432D+01  0.179687D+01 -0.224120D+01  0.111041D+01
      2  -0.256360D+01  0.135028D+01 -0.224120D+01  0.504731D+01 -0.199359D+01
      3   0.135028D+01 -0.121764D+01  0.111041D+01 -0.199359D+01  0.168991D+01
               106           107           108           109           110 
      1  -0.186554D+01  0.163803D+01 -0.144654D+01 -0.135749D+00  0.609260D+00
      2   0.163803D+01 -0.336359D+01  0.230059D+01  0.609260D+00 -0.648334D+00
      3  -0.144654D+01  0.230059D+01 -0.239035D+01  0.271696D+00 -0.462218D+00
               111           112           113           114           115 
      1   0.271696D+00  0.660173D+00 -0.324094D+00 -0.459671D+00  0.133868D+01
      2  -0.462218D+00 -0.324094D+00  0.176682D+01  0.978667D+00 -0.362648D+00
      3  -0.925277D+00 -0.459671D+00  0.978667D+00  0.121320D+01 -0.822509D+00
               116           117           118           119           120 
      1  -0.362648D+00 -0.822509D+00  0.123235D+01  0.865735D+00  0.112955D+01
      2   0.251525D+01  0.159465D+01  0.865735D+00  0.175857D+01  0.488835D+00
      3   0.159465D+01  0.444821D+01  0.112955D+01  0.488835D+00  0.973316D+00
               121           122           123           124           125 
      1   0.155709D+01  0.161220D+01  0.845510D+00  0.832517D+00  0.327828D+00
      2   0.161220D+01  0.501637D+01  0.193505D+01  0.327828D+00  0.139727D+01
      3   0.845510D+00  0.193505D+01  0.267400D+01  0.447800D+00  0.111215D+01
               126           127           128           129           130 
      1   0.447800D+00 -0.478554D+01 -0.851078D+00  0.249166D+01 -0.899132D+00
      2   0.111215D+01 -0.851078D+00 -0.826890D+00  0.627500D+00 -0.381640D+00
      3   0.111388D+01  0.249166D+01  0.627500D+00 -0.357789D+01  0.340309D+00
               131           132           133           134           135 
      1  -0.381640D+00  0.340309D+00  0.225126D+01  0.315537D+00 -0.199451D+01
      2  -0.390650D+00  0.105817D+01  0.315537D+00  0.864383D+00 -0.583282D+00
      3   0.105817D+01 -0.861793D+00 -0.199451D+01 -0.583282D+00  0.299813D+01
               136           137           138           139           140 
      1   0.371992D+01 -0.231418D+01  0.253244D+01 -0.272983D+01  0.247142D+01
      2  -0.231418D+01  0.241007D+01 -0.137370D+01  0.247142D+01 -0.305812D+01
      3   0.253244D+01 -0.137370D+01  0.238583D+01 -0.152423D+01  0.222668D+01
               141           142           143           144           145 
      1  -0.152423D+01  0.159008D+01 -0.973555D+00  0.158547D+01  0.317933D-01
      2   0.222668D+01 -0.973555D+00  0.151714D+01 -0.157741D+01 -0.284659D+00
      3  -0.255372D+01  0.158547D+01 -0.157741D+01  0.220465D+01 -0.604373D+00
               146           147           148           149           150 
      1  -0.284659D+00 -0.604373D+00 -0.729542D+00  0.682976D+00  0.190671D+00
      2   0.197638D+00 -0.191987D-01  0.682976D+00 -0.366448D+00 -0.109137D+01
      3  -0.191987D-01 -0.349956D+00  0.190671D+00 -0.109137D+01 -0.143618D+01
               151           152           153           154           155 
      1  -0.175507D+01  0.213884D+00  0.167533D+01  0.163946D+01  0.137848D+01
      2   0.213884D+00 -0.130455D+01 -0.119529D+01  0.137848D+01  0.184517D+01
      3   0.167533D+01 -0.119529D+01 -0.946553D+01  0.261257D+00 -0.135237D+00
               156           157           158           159           160 
      1   0.261257D+00  0.315414D+01  0.226310D+01 -0.453109D+00  0.941696D+00
      2  -0.135237D+00  0.226310D+01  0.551907D+01  0.381045D-01  0.702257D-01
      3   0.315278D+00 -0.453109D+00  0.381045D-01  0.122830D+01  0.441107D+00
               161           162           163           164           165 
      1   0.702257D-01  0.441107D+00  0.650586D+01 -0.290285D+01  0.101373D+01
      2   0.541360D+00  0.544544D+00 -0.290285D+01  0.234352D+01 -0.459052D+00
      3   0.544544D+00 -0.475484D+00  0.101373D+01 -0.459052D+00  0.101348D+01
               166           167           168           169           170 
      1  -0.447240D+01  0.306348D+01 -0.362922D+00  0.314342D+01 -0.102981D+01
      2   0.306348D+01 -0.255260D+01  0.571630D+00 -0.102981D+01  0.110319D+01
      3  -0.362922D+00  0.571630D+00 -0.129541D+01  0.107038D+01 -0.906002D+00
               171 
      1   0.107038D+01
      2  -0.906002D+00
      3   0.414976D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356213D+01  0.295867D+01  0.588071D-01  0.410192D+01  0.243125D+01
      2  -0.971185D+01  0.376977D+01  0.151589D+01  0.451807D+01 -0.664490D+01
      3  -0.608339D+01  0.622053D+01 -0.165805D+00  0.136596D+02  0.116575D+02
                 6             7             8             9            10 
      1  -0.685594D+00  0.409985D+00  0.287203D+01  0.516675D-02  0.404312D+01
      2   0.527066D+01 -0.812991D+01  0.541473D+01  0.204883D+02  0.780376D+01
      3   0.180436D+01 -0.175510D+01  0.341776D+01 -0.492897D+01  0.201021D+01
                11            12            13            14            15 
      1  -0.686670D+00 -0.481866D+00 -0.716486D+00  0.269575D+01 -0.483012D+01
      2  -0.141865D+01  0.319600D+01 -0.447312D+01  0.280929D+01 -0.118440D+01
      3  -0.497658D+01 -0.150305D+01  0.799159D+00 -0.105663D+02 -0.249391D+01
                16            17            18            19            20 
      1  -0.142039D+01  0.165476D+01 -0.297643D+01 -0.496957D+01 -0.168931D+00
      2  -0.286049D+01  0.156890D-01 -0.582970D+01 -0.141331D+01  0.216219D+01
      3  -0.328766D-01 -0.185548D+01  0.115097D+01  0.418045D+01 -0.343284D+01
                21            22            23            24            25 
      1  -0.129676D+01  0.648579D+00  0.239971D+01  0.818820D+00 -0.964772D+00
      2   0.163293D+01  0.462639D+01 -0.167543D+01  0.156187D+01 -0.839803D+01
      3   0.132855D+01  0.167623D+01  0.785653D+00  0.803172D+00 -0.150551D+01
                26            27            28            29            30 
      1   0.486762D+01 -0.285436D+01  0.297135D+01  0.374324D+01  0.120176D+01
      2  -0.609088D+00 -0.176636D+01 -0.728274D+01 -0.267413D+01 -0.512482D+01
      3   0.615606D+00  0.127669D+00 -0.759937D+01  0.250059D+01 -0.143357D+01
                31            32            33            34            35 
      1   0.866234D+00 -0.763858D+01  0.279320D+00  0.118999D+01  0.366714D+01
      2   0.294120D+01  0.254672D+01  0.340967D+00 -0.125450D+02 -0.710155D+00
      3   0.455117D+01  0.296111D+01 -0.281614D+01 -0.718994D+01 -0.852398D+01
                36            37            38            39            40 
      1   0.686125D+01 -0.318770D+01 -0.908773D+00 -0.447104D+00 -0.360934D+00
      2   0.884979D+01  0.631392D+01  0.316011D+01  0.716547D+00 -0.201886D+01
      3  -0.188912D+01 -0.164687D+01 -0.514161D+00  0.703141D+00  0.565081D+01
                41            42            43            44            45 
      1   0.219236D+01 -0.493976D+01  0.215691D+01  0.316750D+01 -0.309921D+01
      2   0.259755D+01  0.198352D+01 -0.385807D+01  0.218479D+01  0.510238D+01
      3  -0.821888D+01 -0.193376D+01  0.254816D+01 -0.134389D+01 -0.299545D+01
                46            47            48            49            50 
      1   0.222473D+01 -0.664683D+01  0.175693D+01 -0.696351D+01 -0.659428D+01
      2  -0.104206D+02 -0.408390D+01  0.139152D+02 -0.269341D+01  0.256562D+01
      3  -0.419720D+01  0.184065D+01  0.918723D+00  0.591903D+01  0.551622D+01
                51            52            53            54            55 
      1  -0.914915D+01  0.113637D+01 -0.275225D+01  0.465392D+01 -0.653286D+00
      2   0.399490D+00  0.700272D+01  0.349734D+00  0.261850D+01  0.155944D+01
      3   0.394391D+01  0.108751D+01  0.294747D+01 -0.113375D+01  0.513185D+01
                56            57            58            59            60 
      1   0.112055D+01 -0.671573D+01  0.701007D+00 -0.484821D+01 -0.871200D+00
      2  -0.139833D+00  0.472820D+01 -0.568615D+00  0.150799D+01 -0.565422D+00
      3  -0.928616D+01  0.172875D+01  0.285440D+01  0.692095D+01 -0.224031D+01
                61            62            63            64            65 
      1  -0.550756D+01  0.877121D+01  0.591444D+01 -0.985158D+00 -0.312166D+01
      2   0.369535D+00 -0.382053D+00  0.136589D+00 -0.102396D+01  0.255768D+01
      3   0.145175D+01 -0.304440D+01  0.730441D+01  0.218462D+01 -0.947227D+01
                66            67            68            69            70 
      1   0.160669D+01  0.513741D+00  0.240993D+01 -0.345045D+01 -0.313432D+00
      2   0.974024D+01  0.826058D+00 -0.492389D+01 -0.363452D+01  0.271008D+01
      3  -0.868347D+00  0.600608D-01  0.723888D+01  0.376926D+01  0.460807D+01
                71            72            73            74            75 
      1   0.417365D+01 -0.255893D+01  0.856187D+00 -0.254467D+00  0.276452D+00
      2  -0.337078D+01 -0.130027D+02  0.787506D+00 -0.398769D+00  0.704411D-02
      3   0.772019D+01  0.357920D+01  0.173308D+00 -0.645444D+00 -0.558580D+00
                76            77            78            79            80 
      1  -0.252402D+00  0.123592D+00  0.204337D+00 -0.111195D-01  0.383240D+01
      2  -0.131339D+01  0.257993D+00 -0.111568D+00 -0.373614D+01  0.176244D+00
      3   0.143457D+01 -0.294228D-01 -0.336104D+00  0.395454D+00 -0.983922D-01
                81            82            83            84            85 
      1   0.225764D+01 -0.126624D+01  0.134701D+00 -0.627524D+00 -0.140697D+00
      2   0.699312D+00 -0.127872D+01 -0.159711D+00  0.327031D+00 -0.288421D+00
      3  -0.138987D+00  0.373254D+01  0.159387D+01  0.912528D+00  0.620497D+01
                86            87            88            89            90 
      1  -0.178237D+00 -0.378045D+01 -0.111874D+00  0.321551D+00 -0.127500D+00
      2  -0.966959D+00 -0.107652D+01 -0.170307D+01 -0.128484D+01  0.179755D-01
      3   0.857257D+01  0.142823D+01  0.150870D+01  0.129237D+01  0.149259D+01
                91            92            93            94            95 
      1   0.365523D+01  0.221659D+01 -0.200740D+01  0.197167D+01  0.189751D+01
      2  -0.533551D+01 -0.306714D+01  0.381492D+01 -0.233973D+01 -0.194268D+01
      3   0.262792D+01 -0.352785D+01 -0.650993D+00  0.413629D+00 -0.201251D+01
                96            97            98            99           100 
      1  -0.964233D+00 -0.181184D+01 -0.753354D+00  0.118834D+01  0.113508D+01
      2   0.147554D+01  0.291822D+01  0.182364D+01 -0.227302D+01 -0.156222D+01
      3   0.763779D-01 -0.709974D-01  0.169976D+01 -0.224038D+00 -0.356799D+01
               101           102           103           104           105 
      1  -0.172994D+01  0.335477D+01 -0.183349D+01  0.191158D+01 -0.399009D+01
      2   0.942944D+00  0.873502D-01  0.145572D+01 -0.132241D+01  0.288720D+00
      3   0.326456D+01 -0.247318D+01  0.653308D+01 -0.537017D+01  0.326362D+01
               106           107           108           109           110 
      1   0.255770D+01 -0.228523D+01  0.410358D+01 -0.852257D+00  0.813466D+00
      2  -0.230251D+01  0.109765D+01 -0.724079D+00  0.939756D+00  0.105158D+00
      3  -0.511898D+01  0.421158D+01 -0.395586D+01 -0.961616D+00  0.198335D+00
               111           112           113           114           115 
      1   0.279764D+01  0.116050D+01 -0.254992D+01 -0.352628D+01  0.237240D+01
      2  -0.401152D+00  0.245361D-01  0.188362D+00  0.240234D+00 -0.264191D+01
      3   0.101830D+01  0.179404D+01 -0.103490D+01 -0.131364D+01  0.407838D+01
               116           117           118           119           120 
      1  -0.293523D+01 -0.121752D+02  0.196244D+01  0.384273D+01  0.638693D+00
      2   0.399291D+00  0.828257D+00 -0.267010D+00 -0.779779D+00  0.661007D+00
      3  -0.136235D+01 -0.286487D+01 -0.666744D+00 -0.354503D+01 -0.889722D+00
               121           122           123           124           125 
      1   0.301915D+01  0.124887D+02  0.189222D+01  0.106585D+01  0.416557D+01
      2  -0.275005D+01 -0.257803D+00  0.298373D+01 -0.193959D+01  0.749071D+00
      3  -0.350323D+00 -0.835506D+01 -0.239752D+01 -0.242752D+00 -0.184486D+01
               126           127           128           129           130 
      1   0.227703D+01  0.941795D-01 -0.246006D+01 -0.120655D+01 -0.698809D+00
      2   0.536560D+00  0.156580D+02  0.217292D+01 -0.650362D+01  0.199417D+01
      3  -0.164892D+01  0.382546D+01 -0.446283D+00 -0.149037D+01  0.189482D+01
               131           132           133           134           135 
      1   0.135734D+00  0.526167D+00 -0.516850D+00  0.268064D+01  0.513771D+00
      2   0.177414D+01 -0.128409D+01 -0.901047D+01 -0.130465D+01  0.622358D+01
      3   0.274466D+00 -0.126650D+01 -0.141309D+01 -0.154895D+00  0.155330D+01
               136           137           138           139           140 
      1  -0.272233D+01  0.476193D+01 -0.949569D-01  0.358968D+01 -0.473437D+01
      2  -0.367277D+01  0.218170D+01  0.119604D+01  0.365612D+01 -0.122012D+01
      3   0.364533D+00 -0.377032D+01  0.711991D+00 -0.203538D+00  0.353307D+01
               141           142           143           144           145 
      1   0.480092D+00 -0.124072D+01  0.320695D+01 -0.114804D+01 -0.570798D-01
      2  -0.184105D+01 -0.291619D+01  0.173428D-01  0.657987D+00 -0.214972D+01
      3  -0.219120D+01 -0.196347D+00 -0.213375D+01  0.127138D+01  0.981762D+00
               146           147           148           149           150 
      1  -0.337630D-01 -0.851976D-01 -0.395789D+00  0.109633D+00 -0.562194D+00
      2  -0.310697D+00 -0.795920D-01 -0.599346D+00 -0.183843D+01 -0.363428D+01
      3  -0.110110D+01  0.324289D+00 -0.480331D+00  0.368732D+00  0.240616D+01
               151           152           153           154           155 
      1   0.322992D+00  0.380204D+01 -0.263411D+01 -0.123161D+01 -0.179926D+01
      2  -0.117630D+01 -0.293803D+01 -0.233646D+02  0.197606D+01  0.851666D+00
      3   0.616496D+00  0.361640D+01  0.262547D+01 -0.443752D+01 -0.589000D+01
               156           157           158           159           160 
      1  -0.537061D+00 -0.174766D+01 -0.491213D+01 -0.202631D+01 -0.155265D+00
      2   0.189898D+01  0.117427D+01  0.252246D+01  0.401867D+01  0.458782D+00
      3   0.367067D+00 -0.362724D+01 -0.185279D+02 -0.347426D+00  0.110113D+00
               161           162           163           164           165 
      1   0.592449D+00 -0.609993D+00  0.254505D+01 -0.178152D+01  0.180843D+01
      2   0.136863D+01 -0.613255D+00  0.770298D+01 -0.393435D+01  0.597490D+01
      3  -0.180235D+01 -0.134025D+01  0.377889D+01 -0.767148D+01  0.108173D+01
               166           167           168           169           170 
      1  -0.208577D+01  0.172286D+01 -0.272823D+01  0.101078D+01 -0.388442D+00
      2  -0.417160D+01  0.402249D+01 -0.523157D+01  0.383225D+01 -0.316504D+01
      3  -0.485810D+01  0.645391D+01 -0.153596D+01  0.112096D+01 -0.335678D+01
               171 
      1   0.134714D+01
      2   0.279187D+01
      3   0.201522D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.916095D+00  0.123195D+02 -0.196913D+02  0.147491D+02 -0.245402D+02
      2  -0.780385D+01 -0.294846D+01  0.943003D+01 -0.538064D+01  0.929746D+01
      3   0.688775D+01 -0.937099D+01  0.102613D+02 -0.936845D+01  0.152428D+02
      4   0.164296D+02 -0.198944D+02  0.599567D+01 -0.280847D+02 -0.146192D+02
      5  -0.219767D+02  0.263698D+01  0.856436D+01  0.186647D+01 -0.381824D+01
      6   0.142174D+01  0.221737D+01 -0.108226D+01  0.279550D+01  0.580843D+01
                 6             7             8             9            10 
      1   0.460481D+01 -0.239775D+02  0.747442D+01  0.148786D+02 -0.109204D+02
      2   0.162136D+01  0.872054D+01  0.328674D+00  0.602762D+01  0.134174D+01
      3  -0.622617D+01  0.152569D+02 -0.780309D+01 -0.209062D+02  0.957868D+01
      4  -0.588289D+01  0.884732D+01 -0.853985D+01  0.836358D+01 -0.295066D+01
      5   0.722395D+01  0.415629D+01  0.729595D+01  0.283566D+02  0.165952D+02
      6  -0.534757D+00  0.565617D+00 -0.701698D+00 -0.107003D+02 -0.445354D+01
                11            12            13            14            15 
      1  -0.807403D+00  0.134042D+02 -0.156795D+01  0.170988D+02  0.269747D+01
      2  -0.166935D+01 -0.856051D+01 -0.929354D+00 -0.218306D+02 -0.387454D+01
      3   0.247675D+01 -0.484365D+01  0.249731D+01  0.473177D+01  0.117707D+01
      4   0.734418D+01 -0.358303D+01  0.160321D+02  0.413484D+01  0.347859D+01
      5  -0.682360D+00 -0.387749D+01 -0.352473D+00  0.377969D+01 -0.204765D+01
      6   0.417405D+00  0.136513D+01  0.458595D+00 -0.578791D+01  0.438811D+01
                16            17            18            19            20 
      1   0.174523D+02  0.107489D+00  0.954777D+00 -0.954193D+01 -0.597888D+01
      2  -0.794024D+01 -0.112612D+01  0.257806D+01  0.130173D+02  0.153413D+01
      3  -0.951205D+01  0.101863D+01 -0.353284D+01 -0.347542D+01  0.444475D+01
      4  -0.529575D+01  0.351622D+01 -0.595885D+00 -0.404212D+01 -0.173083D+01
      5  -0.334837D+01 -0.254170D+00 -0.143291D+02 -0.426178D+01 -0.152657D+01
      6  -0.141307D+00 -0.115812D+01  0.254120D+01 -0.207640D-01 -0.886455D+00
                21            22            23            24            25 
      1  -0.668893D+00  0.601407D+00  0.262763D+00  0.121170D+01 -0.590855D+01
      2   0.181938D+01 -0.283516D+01 -0.620110D+01  0.208098D+00  0.195315D+01
      3  -0.115049D+01  0.223376D+01  0.593833D+01 -0.141979D+01  0.395539D+01
      4   0.922821D+00 -0.139862D+02 -0.233263D+01 -0.295278D+00  0.356637D+01
      5   0.153978D+01  0.226129D+01  0.652891D+00  0.230787D+01  0.218090D+01
      6  -0.171341D-01  0.172221D+00  0.354717D+01 -0.365923D+01 -0.314415D+00
                26            27            28            29            30 
      1   0.504216D+01  0.103743D+02 -0.431039D+01  0.115940D+02  0.630906D+00
      2  -0.311549D+01  0.123492D+02  0.320709D+00 -0.650346D+01 -0.487837D+01
      3  -0.192667D+01 -0.227235D+02  0.398968D+01 -0.509055D+01  0.424746D+01
      4  -0.588415D+00 -0.117061D+01  0.130267D+02 -0.716571D+01 -0.738796D+01
      5  -0.527424D+00 -0.420920D+00  0.776891D+01 -0.689858D+01 -0.109383D+02
      6   0.311195D+01  0.990669D+00 -0.378061D+01  0.666378D+00 -0.137626D+01
                31            32            33            34            35 
      1   0.177573D+02  0.523430D+01 -0.455812D+01  0.138599D+02 -0.431288D+01
      2  -0.103429D+02 -0.858951D+01  0.907029D+01 -0.822998D+01 -0.193099D+01
      3  -0.741440D+01  0.335521D+01 -0.451217D+01 -0.562992D+01  0.624387D+01
      4  -0.507788D+01 -0.175127D+01 -0.151524D+01 -0.111582D+02  0.649008D+01
      5  -0.158761D+02 -0.102726D+01 -0.185627D+01 -0.913883D+01  0.326964D+00
      6  -0.393916D+01 -0.682095D+01 -0.276185D+01 -0.198091D+01 -0.964650D+00
                36            37            38            39            40 
      1  -0.738650D+01 -0.197123D+02 -0.848553D+01  0.699035D+01 -0.867157D+01
      2   0.435380D+01  0.517246D+01  0.248970D+01 -0.376573D+01  0.428485D+01
      3   0.303269D+01  0.145398D+02  0.599582D+01 -0.322463D+01  0.438672D+01
      4   0.233754D+01 -0.163326D+02 -0.576988D+01  0.640005D+01  0.449010D+01
      5   0.148173D+02  0.681115D+01  0.380942D+01  0.634474D+01  0.777115D+01
      6  -0.582431D+01  0.532613D+01  0.255427D+01  0.121296D+01  0.538438D+01
                41            42            43            44            45 
      1  -0.179169D+02 -0.685438D+00  0.112027D+02  0.169490D+01 -0.444625D+01
      2   0.232797D+02 -0.317296D-01 -0.410518D+01  0.198756D+01 -0.276301D+01
      3  -0.536273D+01  0.717168D+00 -0.709747D+01 -0.368246D+01  0.720926D+01
      4   0.154674D+02  0.730140D+01  0.134396D+02  0.106848D+02  0.560728D+01
      5   0.766403D+01  0.774001D+01  0.100281D+02  0.859495D+01  0.128703D+02
      6   0.916838D+01  0.100806D+02  0.284037D+01  0.102510D+02  0.881103D+01
                46            47            48            49            50 
      1   0.123765D+02  0.483728D+01 -0.126059D+02  0.394667D+01 -0.628121D+01
      2   0.121993D+01 -0.658927D+00  0.258462D+01 -0.111937D+01  0.975207D+01
      3  -0.135964D+02 -0.417835D+01  0.100213D+02 -0.282730D+01 -0.347086D+01
      4   0.494566D+01 -0.136974D+02  0.826977D+01 -0.155836D+02 -0.376027D+01
      5  -0.637548D+01  0.898558D+01 -0.118928D+02  0.768098D+01 -0.197488D+02
      6   0.132452D+02 -0.130131D+02  0.860455D-01 -0.143230D+02 -0.615281D+01
                51            52            53            54            55 
      1   0.560999D+00 -0.111226D+02 -0.112140D+01 -0.700340D+01  0.113032D+02
      2  -0.537205D+00  0.166970D+01  0.813858D-01 -0.749271D+01 -0.836218D+01
      3  -0.237944D-01  0.945289D+01  0.104001D+01  0.144961D+02 -0.294107D+01
      4  -0.119145D+02  0.695537D+01 -0.798061D+01  0.202878D+01  0.406964D+01
      5   0.430402D+01 -0.118715D+02  0.231311D+01  0.127768D+02 -0.104674D+01
      6  -0.127691D+02  0.113695D+01 -0.916270D+01  0.275926D+01  0.394398D+01
                56            57            58            59            60 
      1  -0.108669D+02  0.216495D+01 -0.827241D+01 -0.670953D+01 -0.202545D+01
      2   0.165058D+02 -0.256191D+01  0.149145D+02  0.176491D+02  0.424081D+01
      3  -0.563888D+01  0.396955D+00 -0.664208D+01 -0.109396D+02 -0.221536D+01
      4  -0.170377D+01  0.256607D+01  0.756367D+01  0.174359D+02 -0.299998D+01
      5   0.206260D+01  0.178311D+01  0.579953D+00 -0.337252D+01  0.138365D+01
      6  -0.674290D+01  0.117676D+02 -0.604032D+01  0.447098D+01 -0.272683D+01
                61            62            63            64            65 
      1   0.398752D+01 -0.794651D+00  0.460270D+01  0.380053D+02 -0.975603D+01
      2  -0.345107D+01  0.394279D+01 -0.102173D+02 -0.203933D+02  0.313271D+01
      3  -0.536450D+00 -0.314813D+01  0.561458D+01 -0.176120D+02  0.662332D+01
      4   0.315417D+01 -0.214122D+01  0.103249D+02 -0.171423D+02  0.190397D+02
      5   0.429073D+01  0.369391D+01 -0.256512D+01 -0.171179D+02  0.730546D+01
      6   0.118915D+02 -0.652099D+01 -0.764105D+01  0.264911D+01 -0.229279D+01
                66            67            68            69            70 
      1  -0.922757D+01 -0.146495D+02  0.252130D+01  0.150119D+01 -0.141832D+02
      2   0.987699D+01  0.615252D+01  0.486115D+01 -0.294815D+01  0.990925D+01
      3  -0.649415D+00  0.849693D+01 -0.738244D+01  0.144696D+01  0.427392D+01
      4   0.740396D+01  0.177787D+02 -0.171927D+02 -0.842035D+01  0.647448D+01
      5   0.187283D+02  0.781555D+01 -0.855379D+01 -0.717419D+01  0.209664D+02
      6  -0.263011D+01 -0.365441D+01  0.327019D+01  0.748689D+01 -0.243946D+01
                71            72            73            74            75 
      1   0.463834D+00  0.372523D+01  0.555515D+00  0.354267D+00  0.123624D+00
      2  -0.385512D+00 -0.145027D+02 -0.420466D+01  0.339875D+00 -0.201477D+00
      3  -0.783212D-01  0.107775D+02  0.364914D+01 -0.694143D+00  0.778536D-01
      4  -0.119114D+02 -0.998910D+01  0.570388D-01  0.147035D+01 -0.664811D+00
      5  -0.829951D+01 -0.275411D+02  0.109105D+00  0.434878D-01  0.593183D+01
      6   0.695962D+01  0.492687D+01 -0.450389D+00  0.488699D-01 -0.507815D-01
                76            77            78            79            80 
      1   0.977957D+00 -0.387995D+01 -0.128848D+01  0.825376D+00  0.510862D+00
      2   0.304369D+00  0.400348D+00 -0.174378D+01  0.767313D-01 -0.237037D+01
      3  -0.128233D+01  0.347960D+01  0.303226D+01 -0.902108D+00  0.185951D+01
      4   0.235739D+01 -0.209575D+00  0.973023D-01 -0.425521D+00  0.223434D+00
      5   0.399526D-01 -0.228506D+00 -0.215283D+00  0.523772D+01  0.228319D+00
      6   0.179494D+00  0.493530D+00  0.634128D+01  0.125469D+00  0.481865D+01
                81            82            83            84            85 
      1  -0.198243D+02 -0.323568D+00 -0.346161D+01 -0.205055D+01 -0.545881D+01
      2  -0.165398D+02  0.405566D+01  0.474377D+01  0.179531D+01  0.617039D+01
      3   0.363642D+02 -0.373210D+01 -0.128216D+01  0.255238D+00 -0.711577D+00
      4   0.593782D+00  0.883063D+00  0.390870D+01  0.821033D+00  0.292487D+01
      5   0.122398D+01 -0.140285D+01  0.573420D+00  0.123838D+01  0.110079D+01
      6  -0.317159D+01  0.127908D+01  0.997488D+00  0.732489D+00  0.756633D+00
                86            87            88            89            90 
      1  -0.193411D+02 -0.141865D+01 -0.319327D+01 -0.237496D+01 -0.423561D+01
      2   0.320310D+02  0.404597D+01  0.194928D+01  0.296405D+01  0.268371D+01
      3  -0.126899D+02 -0.262732D+01  0.124398D+01 -0.589094D+00  0.155190D+01
      4  -0.892055D+01 -0.162531D+01  0.394286D+00 -0.153170D+01 -0.959738D+00
      5  -0.163828D+01 -0.293009D+01  0.238921D+01 -0.150169D+01  0.715075D+00
      6   0.549410D+01  0.556843D+01  0.144723D+01  0.734480D+01  0.276503D+01
                91            92            93            94            95 
      1   0.386280D+02  0.165133D+02 -0.270247D+01  0.633784D+01  0.512813D+01
      2  -0.138610D+02 -0.346701D+01  0.287082D+00  0.102400D+01  0.258887D+01
      3  -0.247670D+02 -0.130462D+02  0.241539D+01 -0.736184D+01 -0.771700D+01
      4   0.304464D+02  0.210700D+02 -0.134580D+01  0.136765D+02  0.134832D+02
      5   0.190818D+01  0.138736D+01  0.520537D+01  0.389436D+00  0.727051D+00
      6  -0.122488D+01  0.204218D+00  0.259964D+01  0.322552D+00  0.281550D+00
                96            97            98            99           100 
      1  -0.530414D+00 -0.105899D+02 -0.508281D+01  0.342311D+01 -0.206328D+01
      2  -0.317998D+00  0.333662D+01  0.319269D+00 -0.145919D+01  0.522664D+01
      3   0.848413D+00  0.725327D+01  0.476354D+01 -0.196391D+01 -0.316336D+01
      4  -0.756828D+00 -0.100910D+02 -0.749259D+01  0.464119D+01 -0.543285D+01
      5   0.196299D+01  0.595260D+01  0.321781D+01 -0.209784D+01  0.286777D+01
      6   0.192271D+01  0.362452D+01  0.287309D+01 -0.168255D+01 -0.594350D+01
               101           102           103           104           105 
      1   0.803551D+01 -0.375322D+01  0.606641D+01 -0.150955D+02  0.651053D+01
      2  -0.124342D+02  0.457567D+01 -0.990895D+01  0.238459D+02 -0.884823D+01
      3   0.439873D+01 -0.822443D+00  0.384254D+01 -0.875041D+01  0.233770D+01
      4   0.104211D+02 -0.494210D+01  0.928138D+01 -0.106277D+02  0.501398D+01
      5  -0.322490D+01  0.389921D+01 -0.205476D+01  0.350182D+01 -0.199980D+01
      6   0.920211D+01 -0.776462D+01  0.729087D+01 -0.143220D+02  0.105517D+02
               106           107           108           109           110 
      1  -0.489631D+01  0.981073D+01 -0.857069D+01 -0.114695D+01  0.246986D+01
      2   0.539480D+01 -0.113404D+02  0.650222D+01  0.171457D+01 -0.389489D+01
      3  -0.498485D+00  0.152969D+01  0.206847D+01 -0.567622D+00  0.142504D+01
      4  -0.626910D+01  0.676383D+01 -0.595850D+01  0.224395D-01  0.315040D+01
      5   0.364316D+01 -0.321316D+01  0.332301D+01 -0.135907D+01 -0.260250D+00
      6  -0.793133D+01  0.145672D+02 -0.126158D+02  0.102026D+01 -0.217125D+01
               111           112           113           114           115 
      1   0.118511D+01  0.111268D+01 -0.539632D+01 -0.299257D+01  0.713826D+00
      2  -0.186489D+01 -0.181499D+01  0.800814D+01  0.440780D+01 -0.168710D+01
      3   0.679784D+00  0.702301D+00 -0.261182D+01 -0.141523D+01  0.973276D+00
      4   0.713838D+00  0.347699D+01 -0.220881D+01 -0.184559D+01  0.389706D+01
      5   0.153727D+01 -0.460734D-01 -0.563728D+00 -0.193514D+00  0.425438D+00
      6  -0.407986D+01 -0.207630D+01  0.457090D+01  0.756638D+01 -0.412320D+01
               116           117           118           119           120 
      1  -0.744105D+01 -0.705930D+01  0.359136D+01  0.263937D+01  0.167885D+01
      2   0.991535D+01  0.472128D+01 -0.361888D+01 -0.199165D+01 -0.321922D+01
      3  -0.247431D+01  0.233802D+01  0.275240D-01 -0.647716D+00  0.154037D+01
      4  -0.258815D+01 -0.380544D+01  0.472730D+01  0.815399D+01  0.170182D+01
      5  -0.908381D+00 -0.279722D+00  0.669841D+01  0.441430D+01  0.786102D+01
      6   0.807797D+01  0.182718D+02  0.259041D+01  0.669667D+01  0.230511D+01
               121           122           123           124           125 
      1   0.445518D+01 -0.177262D+01 -0.407900D+01  0.742153D+00 -0.241948D+01
      2  -0.378164D+01  0.790875D+00 -0.523561D+01 -0.181063D+01 -0.214609D+01
      3  -0.673536D+00  0.981741D+00  0.931461D+01  0.106848D+01  0.456558D+01
      4   0.797414D+01  0.151889D+02  0.720077D+01  0.873790D+00  0.427895D+01
      5   0.800644D+01  0.114495D+02  0.100105D+02  0.551554D+01  0.471551D+01
      6   0.697083D+01  0.184222D+02  0.104565D+02  0.217587D+01  0.909989D+01
               126           127           128           129           130 
      1  -0.274129D+01 -0.964363D+01 -0.384941D+01  0.138893D+02 -0.266482D+01
      2  -0.238470D+01 -0.896726D+00  0.141931D+01  0.380958D+01  0.138991D+01
      3   0.512599D+01  0.105404D+02  0.243010D+01 -0.176989D+02  0.127492D+01
      4   0.361611D+01  0.431279D+01  0.264258D+01 -0.313477D+01  0.370939D+01
      5   0.465065D+01 -0.123634D+02 -0.279481D+01  0.596495D+01 -0.281717D+01
      6   0.501785D+01 -0.564954D+01 -0.476606D+01  0.575931D+01 -0.249863D+01
               131           132           133           134           135 
      1  -0.316557D+01  0.290359D+01  0.966707D+01  0.271091D+01 -0.125730D+02
      2   0.877272D+00 -0.417157D+00  0.217247D+01 -0.303183D+00 -0.540701D+01
      3   0.228830D+01 -0.248643D+01 -0.118395D+02 -0.240773D+01  0.179800D+02
      4   0.127702D+01  0.720045D+00 -0.222181D+01  0.312352D+00  0.172204D+01
      5   0.579292D+00  0.198310D+00  0.889117D+01  0.778046D+00 -0.490874D+01
      6  -0.246193D+01  0.615955D+01  0.324612D+01  0.570048D+01 -0.502700D+01
               136           137           138           139           140 
      1   0.114880D+02 -0.402178D+01  0.244732D+01 -0.529145D+01 -0.146643D+01
      2  -0.864145D+01  0.130763D+01 -0.664097D+01  0.188698D+01  0.406257D+01
      3  -0.284651D+01  0.271415D+01  0.419364D+01  0.340447D+01 -0.259613D+01
      4  -0.139363D+02  0.132792D+02 -0.811083D+01  0.142220D+02 -0.146702D+02
      5   0.194736D+02 -0.114621D+02  0.171271D+02 -0.133231D+02  0.132337D+02
      6  -0.105636D+02  0.112606D+02 -0.863070D+01  0.108500D+02 -0.146620D+02
               141           142           143           144           145 
      1   0.311813D+01  0.203987D+01  0.216529D+01 -0.235371D+01  0.787510D+00
      2   0.236024D+01 -0.500534D+01  0.177229D+01 -0.562307D+01 -0.232746D+01
      3  -0.547837D+01  0.296546D+01 -0.393758D+01  0.797678D+01  0.153995D+01
      4   0.939019D+01 -0.546102D+01  0.613075D+01 -0.732393D+01 -0.160782D+01
      5  -0.124256D+02  0.129831D+02 -0.844071D+01  0.125967D+02 -0.227822D+01
      6   0.132935D+02 -0.654879D+01  0.994879D+01 -0.979286D+01  0.130232D+01
               146           147           148           149           150 
      1  -0.202125D+01 -0.438120D+01 -0.315716D+01 -0.138097D+00 -0.316217D+01
      2   0.891107D+00  0.205931D+01  0.142808D+01 -0.545728D+00 -0.204780D+00
      3   0.113014D+01  0.232189D+01  0.172908D+01  0.683825D+00  0.336695D+01
      4   0.275250D+01  0.583351D+00  0.535189D+01 -0.175542D+01 -0.488739D+01
      5   0.558343D+00  0.517425D+01  0.197079D+01 -0.455394D+01 -0.623059D+01
      6   0.195565D+00  0.601652D+00 -0.146320D+01  0.329680D+01  0.793145D+01
               151           152           153           154           155 
      1  -0.728363D+01 -0.291577D+01 -0.148836D+02  0.114655D+02  0.783341D+01
      2   0.738693D+01 -0.204931D+00 -0.182341D+02 -0.299983D+01 -0.295741D+01
      3  -0.103295D+00  0.312070D+01  0.331176D+02 -0.846567D+01 -0.487600D+01
      4   0.208215D+01 -0.652564D+01 -0.635938D+01  0.804997D+01  0.142358D+02
      5   0.143941D+02 -0.585050D+01 -0.438983D+02  0.123646D+00 -0.154215D+01
      6  -0.250782D+01  0.833508D+01  0.124721D+02 -0.174833D+01 -0.265465D+01
               156           157           158           159           160 
      1   0.172703D+01  0.178937D+02  0.107411D+02 -0.951527D+00  0.559705D+01
      2  -0.460968D+00 -0.768470D+01  0.146203D+01  0.166694D+01 -0.205045D+01
      3  -0.126606D+01 -0.102090D+02 -0.122032D+02 -0.715416D+00 -0.354660D+01
      4  -0.522965D+00  0.172227D+02  0.309642D+02  0.151528D+00  0.392674D+00
      5   0.253721D+01 -0.429981D+01 -0.276388D+00  0.770744D+01  0.326517D+01
      6   0.646468D+00 -0.239458D+01 -0.714790D+01  0.225613D+01  0.106686D+01
               161           162           163           164           165 
      1   0.355122D+00 -0.485917D+00  0.456720D+02 -0.168974D+02  0.717130D+01
      2   0.250895D+00 -0.136806D+01 -0.175230D+02  0.393629D+01 -0.224980D+01
      3  -0.606017D+00  0.185397D+01 -0.281490D+02  0.129611D+02 -0.492150D+01
      4   0.284282D+01  0.298998D+01 -0.251884D+02  0.198121D+02 -0.380908D+01
      5   0.356678D+01 -0.204313D+01  0.307506D+01 -0.150822D+01  0.787014D+01
      6   0.267808D+01  0.880461D+00  0.105696D+01 -0.193377D+01 -0.144471D+01
               166           167           168           169           170 
      1  -0.243897D+02  0.131713D+02 -0.266795D+01  0.169013D+02 -0.512406D+01
      2   0.669233D+01  0.135199D+01 -0.959624D+00 -0.645534D+01  0.109489D+00
      3   0.176974D+02 -0.145233D+02  0.362758D+01 -0.104460D+02  0.501457D+01
      4   0.245155D+02 -0.195655D+02  0.403834D+01 -0.915480D+01  0.805634D+01
      5  -0.713321D+00  0.219348D+01 -0.776577D+01  0.788398D+01 -0.539815D+01
      6  -0.154266D+01  0.408285D+00  0.304698D+01 -0.179562D+01  0.206027D+01
               171 
      1   0.387256D+01
      2  -0.295649D+01
      3  -0.916074D+00
      4  -0.606255D+01
      5   0.400240D+01
      6  -0.110382D+01
 Leave Link  716 at Fri Aug 13 11:52:35 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.878449D+02  0.337659D+00 -0.275121D+01
      2   0.337659D+00  0.773187D+02  0.187703D+01
      3  -0.275121D+01  0.187703D+01  0.745984D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.185109D+01  0.353433D+00  0.157222D+00
      2   0.602775D+01 -0.611512D+01  0.338890D+02
      3   0.684240D+01 -0.254521D+02  0.725560D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.705648D+02 -0.254129D+02  0.430891D+01
      2  -0.396318D+02  0.242752D+02 -0.120179D+02
      3  -0.309329D+02  0.113770D+01  0.770899D+01
      4  -0.239671D+02  0.393773D+02 -0.167208D+02
      5   0.112214D+02 -0.192050D+02  0.671262D+02
      6  -0.473735D+01 -0.366352D+00 -0.584064D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.583583D+00  0.219356D+01 -0.385942D+01  0.348373D+01 -0.397483D+01
      2   0.219356D+01 -0.323634D+01  0.679966D+00 -0.397483D+01 -0.325437D+01
      3  -0.385942D+01  0.679966D+00  0.148055D+01  0.470558D+00 -0.121993D+01
                 6             7             8             9            10 
      1   0.470558D+00 -0.508604D+01  0.976150D+00  0.880028D-01  0.166388D+01
      2  -0.121993D+01  0.976150D+00 -0.141678D+01  0.157963D+01 -0.202165D+01
      3   0.186589D+01  0.880028D-01  0.157963D+01  0.706862D+01  0.413003D+01
                11            12            13            14            15 
      1  -0.202165D+01  0.413003D+01 -0.539649D+01  0.397343D+01  0.445189D-01
      2   0.396701D+01 -0.139183D+00  0.397343D+01  0.457059D+01  0.211635D+01
      3  -0.139183D+00 -0.110356D+01  0.445189D-01  0.211635D+01 -0.847708D+00
                16            17            18            19            20 
      1   0.630877D+01 -0.468279D+00 -0.516517D+00 -0.239387D+01  0.564793D+01
      2  -0.468279D+00  0.245037D+01 -0.224385D+00  0.564793D+01 -0.701191D+00
      3  -0.516517D+00 -0.224385D+00 -0.585239D+01 -0.138341D+01  0.118574D+00
                21            22            23            24            25 
      1  -0.138341D+01  0.561363D+01 -0.105860D+01  0.327700D+00 -0.377752D+01
      2   0.118574D+00 -0.105860D+01 -0.994570D+00 -0.826952D+00 -0.312287D+00
      3  -0.328435D+00  0.327700D+00 -0.826952D+00  0.169221D+01 -0.428214D+00
                26            27            28            29            30 
      1  -0.312287D+00 -0.428214D+00 -0.881480D-01 -0.383431D+01 -0.742680D+00
      2  -0.205847D+01  0.119866D+01 -0.383431D+01  0.625105D+00  0.154208D+01
      3   0.119866D+01  0.620548D+01 -0.742680D+00  0.154208D+01  0.629748D+00
                31            32            33            34            35 
      1  -0.375180D+01 -0.867268D-01  0.194254D+01 -0.378961D+01  0.195744D+01
      2  -0.867268D-01 -0.542402D+00  0.662261D+00  0.195744D+01  0.350223D+00
      3   0.194254D+01  0.662261D+00 -0.139288D+01  0.144949D+01 -0.103084D+01
                36            37            38            39            40 
      1   0.144949D+01  0.586575D+01  0.203957D+01 -0.172845D+01  0.822818D+00
      2  -0.103084D+01  0.203957D+01  0.192134D+01 -0.747505D+00  0.453263D+00
      3  -0.262718D+01 -0.172845D+01 -0.747505D+00  0.423525D+00 -0.119073D+01
                41            42            43            44            45 
      1   0.453263D+00 -0.119073D+01 -0.308113D+01 -0.184168D+01 -0.845791D+00
      2  -0.394287D+01 -0.169573D+01 -0.184168D+01 -0.247528D+01 -0.163067D+01
      3  -0.169573D+01 -0.807227D+00 -0.845791D+00 -0.163067D+01 -0.250748D+01
                46            47            48            49            50 
      1   0.118875D+01  0.244987D+01 -0.467068D+01  0.269727D+01 -0.378691D+01
      2   0.244987D+01 -0.351654D+01  0.527856D+00 -0.378691D+01 -0.262618D+01
      3  -0.467068D+01  0.527856D+00  0.933980D+00  0.574167D+00 -0.311277D+01
                51            52            53            54            55 
      1   0.574167D+00 -0.382104D+01  0.318192D+00  0.776140D+00  0.173514D+01
      2  -0.311277D+01  0.318192D+00 -0.232943D+01  0.602851D+00 -0.142093D+01
      3   0.142500D+01  0.776140D+00  0.602851D+00  0.379486D+01  0.860251D+00
                56            57            58            59            60 
      1  -0.142093D+01  0.860251D+00 -0.913310D+00  0.270645D+01 -0.881348D+00
      2   0.368605D+01 -0.766536D+00  0.270645D+01  0.147914D+01  0.890252D+00
      3  -0.766536D+00  0.245756D+01 -0.881348D+00  0.890252D+00 -0.169836D+01
                61            62            63            64            65 
      1   0.121888D+01 -0.131446D+01  0.256516D+01 -0.681783D+01  0.263818D+01
      2  -0.131446D+01  0.107931D+01 -0.168912D+01  0.263818D+01 -0.241622D+01
      3   0.256516D+01 -0.168912D+01 -0.239813D+01  0.279880D+01 -0.123213D+01
                66            67            68            69            70 
      1   0.279880D+01  0.394632D+01 -0.225722D+01 -0.110909D+01  0.551629D+01
      2  -0.123213D+01 -0.225722D+01  0.417409D+01  0.166063D+01 -0.989691D+00
      3  -0.191719D+01 -0.110909D+01  0.166063D+01  0.185651D+01 -0.293261D+01
                71            72            73            74            75 
      1  -0.989691D+00 -0.293261D+01  0.509169D+00 -0.682836D+00 -0.995772D+00
      2   0.223309D+01  0.203547D+01 -0.682836D+00  0.240771D+00 -0.685856D-01
      3   0.203547D+01  0.565494D+01 -0.995772D+00 -0.685856D-01  0.171586D+00
                76            77            78            79            80 
      1  -0.129308D+01  0.278253D+00 -0.189220D-02 -0.135687D+01  0.354898D-01
      2   0.278253D+00  0.106853D+00 -0.108032D+01  0.354898D-01 -0.121424D+01
      3  -0.189220D-02 -0.108032D+01 -0.726257D+00  0.541330D-01 -0.266476D+00
                81            82            83            84            85 
      1   0.541330D-01 -0.138378D+01 -0.104298D+01 -0.849856D+00 -0.124398D+01
      2  -0.266476D+00 -0.104298D+01 -0.147704D+01  0.336442D-02 -0.130893D+01
      3  -0.847939D+01 -0.849856D+00  0.336442D-02 -0.256829D+00 -0.485984D-01
                86            87            88            89            90 
      1  -0.130893D+01 -0.485984D-01 -0.117057D+01 -0.453958D-01 -0.968921D-01
      2  -0.733910D+01 -0.114112D+01 -0.453958D-01 -0.111697D+01 -0.121761D+01
      3  -0.114112D+01 -0.145728D+01 -0.968921D-01 -0.121761D+01 -0.688033D-01
                91            92            93            94            95 
      1  -0.812688D+01 -0.430437D+01  0.389551D+00 -0.230247D+01 -0.208442D+01
      2  -0.430437D+01 -0.360911D+01  0.648926D-01 -0.208442D+01 -0.261293D+01
      3   0.389551D+00  0.648926D-01 -0.110810D+01  0.185213D+00  0.239903D-01
                96            97            98            99           100 
      1   0.185213D+00  0.256180D+01  0.148503D+01 -0.106942D+01 -0.943858D+00
      2   0.239903D-01  0.148503D+01  0.122773D+01 -0.647460D+00  0.183726D+01
      3  -0.568185D+00 -0.106942D+01 -0.647460D+00  0.360999D+00 -0.104432D+01
               101           102           103           104           105 
      1   0.183726D+01 -0.104432D+01  0.179687D+01 -0.224120D+01  0.111041D+01
      2  -0.256360D+01  0.135028D+01 -0.224120D+01  0.504731D+01 -0.199359D+01
      3   0.135028D+01 -0.121764D+01  0.111041D+01 -0.199359D+01  0.168991D+01
               106           107           108           109           110 
      1  -0.186554D+01  0.163803D+01 -0.144654D+01 -0.135749D+00  0.609260D+00
      2   0.163803D+01 -0.336359D+01  0.230059D+01  0.609260D+00 -0.648334D+00
      3  -0.144654D+01  0.230059D+01 -0.239035D+01  0.271696D+00 -0.462218D+00
               111           112           113           114           115 
      1   0.271696D+00  0.660173D+00 -0.324094D+00 -0.459671D+00  0.133868D+01
      2  -0.462218D+00 -0.324094D+00  0.176682D+01  0.978667D+00 -0.362648D+00
      3  -0.925277D+00 -0.459671D+00  0.978667D+00  0.121320D+01 -0.822509D+00
               116           117           118           119           120 
      1  -0.362648D+00 -0.822509D+00  0.123235D+01  0.865735D+00  0.112955D+01
      2   0.251525D+01  0.159465D+01  0.865735D+00  0.175857D+01  0.488835D+00
      3   0.159465D+01  0.444821D+01  0.112955D+01  0.488835D+00  0.973316D+00
               121           122           123           124           125 
      1   0.155709D+01  0.161220D+01  0.845510D+00  0.832517D+00  0.327828D+00
      2   0.161220D+01  0.501637D+01  0.193505D+01  0.327828D+00  0.139727D+01
      3   0.845510D+00  0.193505D+01  0.267400D+01  0.447800D+00  0.111215D+01
               126           127           128           129           130 
      1   0.447800D+00 -0.478554D+01 -0.851078D+00  0.249166D+01 -0.899132D+00
      2   0.111215D+01 -0.851078D+00 -0.826890D+00  0.627500D+00 -0.381640D+00
      3   0.111388D+01  0.249166D+01  0.627500D+00 -0.357789D+01  0.340309D+00
               131           132           133           134           135 
      1  -0.381640D+00  0.340309D+00  0.225126D+01  0.315537D+00 -0.199451D+01
      2  -0.390650D+00  0.105817D+01  0.315537D+00  0.864383D+00 -0.583282D+00
      3   0.105817D+01 -0.861793D+00 -0.199451D+01 -0.583282D+00  0.299813D+01
               136           137           138           139           140 
      1   0.371992D+01 -0.231418D+01  0.253244D+01 -0.272983D+01  0.247142D+01
      2  -0.231418D+01  0.241007D+01 -0.137370D+01  0.247142D+01 -0.305812D+01
      3   0.253244D+01 -0.137370D+01  0.238583D+01 -0.152423D+01  0.222668D+01
               141           142           143           144           145 
      1  -0.152423D+01  0.159008D+01 -0.973555D+00  0.158547D+01  0.317933D-01
      2   0.222668D+01 -0.973555D+00  0.151714D+01 -0.157741D+01 -0.284659D+00
      3  -0.255372D+01  0.158547D+01 -0.157741D+01  0.220465D+01 -0.604373D+00
               146           147           148           149           150 
      1  -0.284659D+00 -0.604373D+00 -0.729542D+00  0.682976D+00  0.190671D+00
      2   0.197638D+00 -0.191987D-01  0.682976D+00 -0.366448D+00 -0.109137D+01
      3  -0.191987D-01 -0.349956D+00  0.190671D+00 -0.109137D+01 -0.143618D+01
               151           152           153           154           155 
      1  -0.175507D+01  0.213884D+00  0.167533D+01  0.163946D+01  0.137848D+01
      2   0.213884D+00 -0.130455D+01 -0.119529D+01  0.137848D+01  0.184517D+01
      3   0.167533D+01 -0.119529D+01 -0.946553D+01  0.261257D+00 -0.135237D+00
               156           157           158           159           160 
      1   0.261257D+00  0.315414D+01  0.226310D+01 -0.453109D+00  0.941696D+00
      2  -0.135237D+00  0.226310D+01  0.551907D+01  0.381045D-01  0.702257D-01
      3   0.315278D+00 -0.453109D+00  0.381045D-01  0.122830D+01  0.441107D+00
               161           162           163           164           165 
      1   0.702257D-01  0.441107D+00  0.650586D+01 -0.290285D+01  0.101373D+01
      2   0.541360D+00  0.544544D+00 -0.290285D+01  0.234352D+01 -0.459052D+00
      3   0.544544D+00 -0.475484D+00  0.101373D+01 -0.459052D+00  0.101348D+01
               166           167           168           169           170 
      1  -0.447240D+01  0.306348D+01 -0.362922D+00  0.314342D+01 -0.102981D+01
      2   0.306348D+01 -0.255260D+01  0.571630D+00 -0.102981D+01  0.110319D+01
      3  -0.362922D+00  0.571630D+00 -0.129541D+01  0.107038D+01 -0.906002D+00
               171 
      1   0.107038D+01
      2  -0.906002D+00
      3   0.414976D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356213D+01  0.295867D+01  0.588071D-01  0.410192D+01  0.243125D+01
      2  -0.971185D+01  0.376977D+01  0.151589D+01  0.451807D+01 -0.664490D+01
      3  -0.608339D+01  0.622053D+01 -0.165805D+00  0.136596D+02  0.116575D+02
                 6             7             8             9            10 
      1  -0.685594D+00  0.409985D+00  0.287203D+01  0.516675D-02  0.404312D+01
      2   0.527066D+01 -0.812991D+01  0.541473D+01  0.204883D+02  0.780376D+01
      3   0.180436D+01 -0.175510D+01  0.341776D+01 -0.492897D+01  0.201021D+01
                11            12            13            14            15 
      1  -0.686670D+00 -0.481866D+00 -0.716486D+00  0.269575D+01 -0.483012D+01
      2  -0.141865D+01  0.319600D+01 -0.447312D+01  0.280929D+01 -0.118440D+01
      3  -0.497658D+01 -0.150305D+01  0.799159D+00 -0.105663D+02 -0.249391D+01
                16            17            18            19            20 
      1  -0.142039D+01  0.165476D+01 -0.297643D+01 -0.496957D+01 -0.168931D+00
      2  -0.286049D+01  0.156890D-01 -0.582970D+01 -0.141331D+01  0.216219D+01
      3  -0.328766D-01 -0.185548D+01  0.115097D+01  0.418045D+01 -0.343284D+01
                21            22            23            24            25 
      1  -0.129676D+01  0.648579D+00  0.239971D+01  0.818820D+00 -0.964772D+00
      2   0.163293D+01  0.462639D+01 -0.167543D+01  0.156187D+01 -0.839803D+01
      3   0.132855D+01  0.167623D+01  0.785653D+00  0.803172D+00 -0.150551D+01
                26            27            28            29            30 
      1   0.486762D+01 -0.285436D+01  0.297135D+01  0.374324D+01  0.120176D+01
      2  -0.609088D+00 -0.176636D+01 -0.728274D+01 -0.267413D+01 -0.512482D+01
      3   0.615606D+00  0.127669D+00 -0.759937D+01  0.250059D+01 -0.143357D+01
                31            32            33            34            35 
      1   0.866234D+00 -0.763858D+01  0.279320D+00  0.118999D+01  0.366714D+01
      2   0.294120D+01  0.254672D+01  0.340967D+00 -0.125450D+02 -0.710155D+00
      3   0.455117D+01  0.296111D+01 -0.281614D+01 -0.718994D+01 -0.852398D+01
                36            37            38            39            40 
      1   0.686125D+01 -0.318770D+01 -0.908773D+00 -0.447104D+00 -0.360934D+00
      2   0.884979D+01  0.631392D+01  0.316011D+01  0.716547D+00 -0.201886D+01
      3  -0.188912D+01 -0.164687D+01 -0.514161D+00  0.703141D+00  0.565081D+01
                41            42            43            44            45 
      1   0.219236D+01 -0.493976D+01  0.215691D+01  0.316750D+01 -0.309921D+01
      2   0.259755D+01  0.198352D+01 -0.385807D+01  0.218479D+01  0.510238D+01
      3  -0.821888D+01 -0.193376D+01  0.254816D+01 -0.134389D+01 -0.299545D+01
                46            47            48            49            50 
      1   0.222473D+01 -0.664683D+01  0.175693D+01 -0.696351D+01 -0.659428D+01
      2  -0.104206D+02 -0.408390D+01  0.139152D+02 -0.269341D+01  0.256562D+01
      3  -0.419720D+01  0.184065D+01  0.918723D+00  0.591903D+01  0.551622D+01
                51            52            53            54            55 
      1  -0.914915D+01  0.113637D+01 -0.275225D+01  0.465392D+01 -0.653286D+00
      2   0.399490D+00  0.700272D+01  0.349734D+00  0.261850D+01  0.155944D+01
      3   0.394391D+01  0.108751D+01  0.294747D+01 -0.113375D+01  0.513185D+01
                56            57            58            59            60 
      1   0.112055D+01 -0.671573D+01  0.701007D+00 -0.484821D+01 -0.871200D+00
      2  -0.139833D+00  0.472820D+01 -0.568615D+00  0.150799D+01 -0.565422D+00
      3  -0.928616D+01  0.172875D+01  0.285440D+01  0.692095D+01 -0.224031D+01
                61            62            63            64            65 
      1  -0.550756D+01  0.877121D+01  0.591444D+01 -0.985158D+00 -0.312166D+01
      2   0.369535D+00 -0.382053D+00  0.136589D+00 -0.102396D+01  0.255768D+01
      3   0.145175D+01 -0.304440D+01  0.730441D+01  0.218462D+01 -0.947227D+01
                66            67            68            69            70 
      1   0.160669D+01  0.513741D+00  0.240993D+01 -0.345045D+01 -0.313432D+00
      2   0.974024D+01  0.826058D+00 -0.492389D+01 -0.363452D+01  0.271008D+01
      3  -0.868347D+00  0.600608D-01  0.723888D+01  0.376926D+01  0.460807D+01
                71            72            73            74            75 
      1   0.417365D+01 -0.255893D+01  0.856187D+00 -0.254467D+00  0.276452D+00
      2  -0.337078D+01 -0.130027D+02  0.787506D+00 -0.398769D+00  0.704411D-02
      3   0.772019D+01  0.357920D+01  0.173308D+00 -0.645444D+00 -0.558580D+00
                76            77            78            79            80 
      1  -0.252402D+00  0.123592D+00  0.204337D+00 -0.111195D-01  0.383240D+01
      2  -0.131339D+01  0.257993D+00 -0.111568D+00 -0.373614D+01  0.176244D+00
      3   0.143457D+01 -0.294228D-01 -0.336104D+00  0.395454D+00 -0.983922D-01
                81            82            83            84            85 
      1   0.225764D+01 -0.126624D+01  0.134701D+00 -0.627524D+00 -0.140697D+00
      2   0.699312D+00 -0.127872D+01 -0.159711D+00  0.327031D+00 -0.288421D+00
      3  -0.138987D+00  0.373254D+01  0.159387D+01  0.912528D+00  0.620497D+01
                86            87            88            89            90 
      1  -0.178237D+00 -0.378045D+01 -0.111874D+00  0.321551D+00 -0.127500D+00
      2  -0.966959D+00 -0.107652D+01 -0.170307D+01 -0.128484D+01  0.179755D-01
      3   0.857257D+01  0.142823D+01  0.150870D+01  0.129237D+01  0.149259D+01
                91            92            93            94            95 
      1   0.365523D+01  0.221659D+01 -0.200740D+01  0.197167D+01  0.189751D+01
      2  -0.533551D+01 -0.306714D+01  0.381492D+01 -0.233973D+01 -0.194268D+01
      3   0.262792D+01 -0.352785D+01 -0.650993D+00  0.413629D+00 -0.201251D+01
                96            97            98            99           100 
      1  -0.964233D+00 -0.181184D+01 -0.753354D+00  0.118834D+01  0.113508D+01
      2   0.147554D+01  0.291822D+01  0.182364D+01 -0.227302D+01 -0.156222D+01
      3   0.763779D-01 -0.709974D-01  0.169976D+01 -0.224038D+00 -0.356799D+01
               101           102           103           104           105 
      1  -0.172994D+01  0.335477D+01 -0.183349D+01  0.191158D+01 -0.399009D+01
      2   0.942944D+00  0.873502D-01  0.145572D+01 -0.132241D+01  0.288720D+00
      3   0.326456D+01 -0.247318D+01  0.653308D+01 -0.537017D+01  0.326362D+01
               106           107           108           109           110 
      1   0.255770D+01 -0.228523D+01  0.410358D+01 -0.852257D+00  0.813466D+00
      2  -0.230251D+01  0.109765D+01 -0.724079D+00  0.939756D+00  0.105158D+00
      3  -0.511898D+01  0.421158D+01 -0.395586D+01 -0.961616D+00  0.198335D+00
               111           112           113           114           115 
      1   0.279764D+01  0.116050D+01 -0.254992D+01 -0.352628D+01  0.237240D+01
      2  -0.401152D+00  0.245361D-01  0.188362D+00  0.240234D+00 -0.264191D+01
      3   0.101830D+01  0.179404D+01 -0.103490D+01 -0.131364D+01  0.407838D+01
               116           117           118           119           120 
      1  -0.293523D+01 -0.121752D+02  0.196244D+01  0.384273D+01  0.638693D+00
      2   0.399291D+00  0.828257D+00 -0.267010D+00 -0.779779D+00  0.661007D+00
      3  -0.136235D+01 -0.286487D+01 -0.666744D+00 -0.354503D+01 -0.889722D+00
               121           122           123           124           125 
      1   0.301915D+01  0.124887D+02  0.189222D+01  0.106585D+01  0.416557D+01
      2  -0.275005D+01 -0.257803D+00  0.298373D+01 -0.193959D+01  0.749071D+00
      3  -0.350323D+00 -0.835506D+01 -0.239752D+01 -0.242752D+00 -0.184486D+01
               126           127           128           129           130 
      1   0.227703D+01  0.941795D-01 -0.246006D+01 -0.120655D+01 -0.698809D+00
      2   0.536560D+00  0.156580D+02  0.217292D+01 -0.650362D+01  0.199417D+01
      3  -0.164892D+01  0.382546D+01 -0.446283D+00 -0.149037D+01  0.189482D+01
               131           132           133           134           135 
      1   0.135734D+00  0.526167D+00 -0.516850D+00  0.268064D+01  0.513771D+00
      2   0.177414D+01 -0.128409D+01 -0.901047D+01 -0.130465D+01  0.622358D+01
      3   0.274466D+00 -0.126650D+01 -0.141309D+01 -0.154895D+00  0.155330D+01
               136           137           138           139           140 
      1  -0.272233D+01  0.476193D+01 -0.949569D-01  0.358968D+01 -0.473437D+01
      2  -0.367277D+01  0.218170D+01  0.119604D+01  0.365612D+01 -0.122012D+01
      3   0.364533D+00 -0.377032D+01  0.711991D+00 -0.203538D+00  0.353307D+01
               141           142           143           144           145 
      1   0.480092D+00 -0.124072D+01  0.320695D+01 -0.114804D+01 -0.570798D-01
      2  -0.184105D+01 -0.291619D+01  0.173428D-01  0.657987D+00 -0.214972D+01
      3  -0.219120D+01 -0.196347D+00 -0.213375D+01  0.127138D+01  0.981762D+00
               146           147           148           149           150 
      1  -0.337630D-01 -0.851976D-01 -0.395789D+00  0.109633D+00 -0.562194D+00
      2  -0.310697D+00 -0.795920D-01 -0.599346D+00 -0.183843D+01 -0.363428D+01
      3  -0.110110D+01  0.324289D+00 -0.480331D+00  0.368732D+00  0.240616D+01
               151           152           153           154           155 
      1   0.322992D+00  0.380204D+01 -0.263411D+01 -0.123161D+01 -0.179926D+01
      2  -0.117630D+01 -0.293803D+01 -0.233646D+02  0.197606D+01  0.851666D+00
      3   0.616496D+00  0.361640D+01  0.262547D+01 -0.443752D+01 -0.589000D+01
               156           157           158           159           160 
      1  -0.537061D+00 -0.174766D+01 -0.491213D+01 -0.202631D+01 -0.155265D+00
      2   0.189898D+01  0.117427D+01  0.252246D+01  0.401867D+01  0.458782D+00
      3   0.367067D+00 -0.362724D+01 -0.185279D+02 -0.347426D+00  0.110113D+00
               161           162           163           164           165 
      1   0.592449D+00 -0.609993D+00  0.254505D+01 -0.178152D+01  0.180843D+01
      2   0.136863D+01 -0.613255D+00  0.770298D+01 -0.393435D+01  0.597490D+01
      3  -0.180235D+01 -0.134025D+01  0.377889D+01 -0.767148D+01  0.108173D+01
               166           167           168           169           170 
      1  -0.208577D+01  0.172286D+01 -0.272823D+01  0.101078D+01 -0.388442D+00
      2  -0.417160D+01  0.402249D+01 -0.523157D+01  0.383225D+01 -0.316504D+01
      3  -0.485810D+01  0.645391D+01 -0.153596D+01  0.112096D+01 -0.335678D+01
               171 
      1   0.134714D+01
      2   0.279187D+01
      3   0.201522D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.916095D+00  0.123195D+02 -0.196913D+02  0.147491D+02 -0.245402D+02
      2  -0.780385D+01 -0.294846D+01  0.943003D+01 -0.538064D+01  0.929746D+01
      3   0.688775D+01 -0.937099D+01  0.102613D+02 -0.936845D+01  0.152428D+02
      4   0.164296D+02 -0.198944D+02  0.599567D+01 -0.280847D+02 -0.146192D+02
      5  -0.219767D+02  0.263698D+01  0.856436D+01  0.186647D+01 -0.381824D+01
      6   0.142174D+01  0.221737D+01 -0.108226D+01  0.279550D+01  0.580843D+01
                 6             7             8             9            10 
      1   0.460481D+01 -0.239775D+02  0.747442D+01  0.148786D+02 -0.109204D+02
      2   0.162136D+01  0.872054D+01  0.328674D+00  0.602762D+01  0.134174D+01
      3  -0.622617D+01  0.152569D+02 -0.780309D+01 -0.209062D+02  0.957868D+01
      4  -0.588289D+01  0.884732D+01 -0.853985D+01  0.836358D+01 -0.295066D+01
      5   0.722395D+01  0.415629D+01  0.729595D+01  0.283566D+02  0.165952D+02
      6  -0.534757D+00  0.565617D+00 -0.701698D+00 -0.107003D+02 -0.445354D+01
                11            12            13            14            15 
      1  -0.807403D+00  0.134042D+02 -0.156795D+01  0.170988D+02  0.269747D+01
      2  -0.166935D+01 -0.856051D+01 -0.929354D+00 -0.218306D+02 -0.387454D+01
      3   0.247675D+01 -0.484365D+01  0.249731D+01  0.473177D+01  0.117707D+01
      4   0.734418D+01 -0.358303D+01  0.160321D+02  0.413484D+01  0.347859D+01
      5  -0.682360D+00 -0.387749D+01 -0.352473D+00  0.377969D+01 -0.204765D+01
      6   0.417405D+00  0.136513D+01  0.458595D+00 -0.578791D+01  0.438811D+01
                16            17            18            19            20 
      1   0.174523D+02  0.107489D+00  0.954777D+00 -0.954193D+01 -0.597888D+01
      2  -0.794024D+01 -0.112612D+01  0.257806D+01  0.130173D+02  0.153413D+01
      3  -0.951205D+01  0.101863D+01 -0.353284D+01 -0.347542D+01  0.444475D+01
      4  -0.529575D+01  0.351622D+01 -0.595885D+00 -0.404212D+01 -0.173083D+01
      5  -0.334837D+01 -0.254170D+00 -0.143291D+02 -0.426178D+01 -0.152657D+01
      6  -0.141307D+00 -0.115812D+01  0.254120D+01 -0.207640D-01 -0.886455D+00
                21            22            23            24            25 
      1  -0.668893D+00  0.601407D+00  0.262763D+00  0.121170D+01 -0.590855D+01
      2   0.181938D+01 -0.283516D+01 -0.620110D+01  0.208098D+00  0.195315D+01
      3  -0.115049D+01  0.223376D+01  0.593833D+01 -0.141979D+01  0.395539D+01
      4   0.922821D+00 -0.139862D+02 -0.233263D+01 -0.295278D+00  0.356637D+01
      5   0.153978D+01  0.226129D+01  0.652891D+00  0.230787D+01  0.218090D+01
      6  -0.171341D-01  0.172221D+00  0.354717D+01 -0.365923D+01 -0.314415D+00
                26            27            28            29            30 
      1   0.504216D+01  0.103743D+02 -0.431039D+01  0.115940D+02  0.630906D+00
      2  -0.311549D+01  0.123492D+02  0.320709D+00 -0.650346D+01 -0.487837D+01
      3  -0.192667D+01 -0.227235D+02  0.398968D+01 -0.509055D+01  0.424746D+01
      4  -0.588415D+00 -0.117061D+01  0.130267D+02 -0.716571D+01 -0.738796D+01
      5  -0.527424D+00 -0.420920D+00  0.776891D+01 -0.689858D+01 -0.109383D+02
      6   0.311195D+01  0.990669D+00 -0.378061D+01  0.666378D+00 -0.137626D+01
                31            32            33            34            35 
      1   0.177573D+02  0.523430D+01 -0.455812D+01  0.138599D+02 -0.431288D+01
      2  -0.103429D+02 -0.858951D+01  0.907029D+01 -0.822998D+01 -0.193099D+01
      3  -0.741440D+01  0.335521D+01 -0.451217D+01 -0.562992D+01  0.624387D+01
      4  -0.507788D+01 -0.175127D+01 -0.151524D+01 -0.111582D+02  0.649008D+01
      5  -0.158761D+02 -0.102726D+01 -0.185627D+01 -0.913883D+01  0.326964D+00
      6  -0.393916D+01 -0.682095D+01 -0.276185D+01 -0.198091D+01 -0.964650D+00
                36            37            38            39            40 
      1  -0.738650D+01 -0.197123D+02 -0.848553D+01  0.699035D+01 -0.867157D+01
      2   0.435380D+01  0.517246D+01  0.248970D+01 -0.376573D+01  0.428485D+01
      3   0.303269D+01  0.145398D+02  0.599582D+01 -0.322463D+01  0.438672D+01
      4   0.233754D+01 -0.163326D+02 -0.576988D+01  0.640005D+01  0.449010D+01
      5   0.148173D+02  0.681115D+01  0.380942D+01  0.634474D+01  0.777115D+01
      6  -0.582431D+01  0.532613D+01  0.255427D+01  0.121296D+01  0.538438D+01
                41            42            43            44            45 
      1  -0.179169D+02 -0.685438D+00  0.112027D+02  0.169490D+01 -0.444625D+01
      2   0.232797D+02 -0.317296D-01 -0.410518D+01  0.198756D+01 -0.276301D+01
      3  -0.536273D+01  0.717168D+00 -0.709747D+01 -0.368246D+01  0.720926D+01
      4   0.154674D+02  0.730140D+01  0.134396D+02  0.106848D+02  0.560728D+01
      5   0.766403D+01  0.774001D+01  0.100281D+02  0.859495D+01  0.128703D+02
      6   0.916838D+01  0.100806D+02  0.284037D+01  0.102510D+02  0.881103D+01
                46            47            48            49            50 
      1   0.123765D+02  0.483728D+01 -0.126059D+02  0.394667D+01 -0.628121D+01
      2   0.121993D+01 -0.658927D+00  0.258462D+01 -0.111937D+01  0.975207D+01
      3  -0.135964D+02 -0.417835D+01  0.100213D+02 -0.282730D+01 -0.347086D+01
      4   0.494566D+01 -0.136974D+02  0.826977D+01 -0.155836D+02 -0.376027D+01
      5  -0.637548D+01  0.898558D+01 -0.118928D+02  0.768098D+01 -0.197488D+02
      6   0.132452D+02 -0.130131D+02  0.860455D-01 -0.143230D+02 -0.615281D+01
                51            52            53            54            55 
      1   0.560999D+00 -0.111226D+02 -0.112140D+01 -0.700340D+01  0.113032D+02
      2  -0.537205D+00  0.166970D+01  0.813858D-01 -0.749271D+01 -0.836218D+01
      3  -0.237944D-01  0.945289D+01  0.104001D+01  0.144961D+02 -0.294107D+01
      4  -0.119145D+02  0.695537D+01 -0.798061D+01  0.202878D+01  0.406964D+01
      5   0.430402D+01 -0.118715D+02  0.231311D+01  0.127768D+02 -0.104674D+01
      6  -0.127691D+02  0.113695D+01 -0.916270D+01  0.275926D+01  0.394398D+01
                56            57            58            59            60 
      1  -0.108669D+02  0.216495D+01 -0.827241D+01 -0.670953D+01 -0.202545D+01
      2   0.165058D+02 -0.256191D+01  0.149145D+02  0.176491D+02  0.424081D+01
      3  -0.563888D+01  0.396955D+00 -0.664208D+01 -0.109396D+02 -0.221536D+01
      4  -0.170377D+01  0.256607D+01  0.756367D+01  0.174359D+02 -0.299998D+01
      5   0.206260D+01  0.178311D+01  0.579953D+00 -0.337252D+01  0.138365D+01
      6  -0.674290D+01  0.117676D+02 -0.604032D+01  0.447098D+01 -0.272683D+01
                61            62            63            64            65 
      1   0.398752D+01 -0.794651D+00  0.460270D+01  0.380053D+02 -0.975603D+01
      2  -0.345107D+01  0.394279D+01 -0.102173D+02 -0.203933D+02  0.313271D+01
      3  -0.536450D+00 -0.314813D+01  0.561458D+01 -0.176120D+02  0.662332D+01
      4   0.315417D+01 -0.214122D+01  0.103249D+02 -0.171423D+02  0.190397D+02
      5   0.429073D+01  0.369391D+01 -0.256512D+01 -0.171179D+02  0.730546D+01
      6   0.118915D+02 -0.652099D+01 -0.764105D+01  0.264911D+01 -0.229279D+01
                66            67            68            69            70 
      1  -0.922757D+01 -0.146495D+02  0.252130D+01  0.150119D+01 -0.141832D+02
      2   0.987699D+01  0.615252D+01  0.486115D+01 -0.294815D+01  0.990925D+01
      3  -0.649415D+00  0.849693D+01 -0.738244D+01  0.144696D+01  0.427392D+01
      4   0.740396D+01  0.177787D+02 -0.171927D+02 -0.842035D+01  0.647448D+01
      5   0.187283D+02  0.781555D+01 -0.855379D+01 -0.717419D+01  0.209664D+02
      6  -0.263011D+01 -0.365441D+01  0.327019D+01  0.748689D+01 -0.243946D+01
                71            72            73            74            75 
      1   0.463834D+00  0.372523D+01  0.555515D+00  0.354267D+00  0.123624D+00
      2  -0.385512D+00 -0.145027D+02 -0.420466D+01  0.339875D+00 -0.201477D+00
      3  -0.783212D-01  0.107775D+02  0.364914D+01 -0.694143D+00  0.778536D-01
      4  -0.119114D+02 -0.998910D+01  0.570388D-01  0.147035D+01 -0.664811D+00
      5  -0.829951D+01 -0.275411D+02  0.109105D+00  0.434878D-01  0.593183D+01
      6   0.695962D+01  0.492687D+01 -0.450389D+00  0.488699D-01 -0.507815D-01
                76            77            78            79            80 
      1   0.977957D+00 -0.387995D+01 -0.128848D+01  0.825376D+00  0.510862D+00
      2   0.304369D+00  0.400348D+00 -0.174378D+01  0.767313D-01 -0.237037D+01
      3  -0.128233D+01  0.347960D+01  0.303226D+01 -0.902108D+00  0.185951D+01
      4   0.235739D+01 -0.209575D+00  0.973023D-01 -0.425521D+00  0.223434D+00
      5   0.399526D-01 -0.228506D+00 -0.215283D+00  0.523772D+01  0.228319D+00
      6   0.179494D+00  0.493530D+00  0.634128D+01  0.125469D+00  0.481865D+01
                81            82            83            84            85 
      1  -0.198243D+02 -0.323568D+00 -0.346161D+01 -0.205055D+01 -0.545881D+01
      2  -0.165398D+02  0.405566D+01  0.474377D+01  0.179531D+01  0.617039D+01
      3   0.363642D+02 -0.373210D+01 -0.128216D+01  0.255238D+00 -0.711577D+00
      4   0.593782D+00  0.883063D+00  0.390870D+01  0.821033D+00  0.292487D+01
      5   0.122398D+01 -0.140285D+01  0.573420D+00  0.123838D+01  0.110079D+01
      6  -0.317159D+01  0.127908D+01  0.997488D+00  0.732489D+00  0.756633D+00
                86            87            88            89            90 
      1  -0.193411D+02 -0.141865D+01 -0.319327D+01 -0.237496D+01 -0.423561D+01
      2   0.320310D+02  0.404597D+01  0.194928D+01  0.296405D+01  0.268371D+01
      3  -0.126899D+02 -0.262732D+01  0.124398D+01 -0.589094D+00  0.155190D+01
      4  -0.892055D+01 -0.162531D+01  0.394286D+00 -0.153170D+01 -0.959738D+00
      5  -0.163828D+01 -0.293009D+01  0.238921D+01 -0.150169D+01  0.715075D+00
      6   0.549410D+01  0.556843D+01  0.144723D+01  0.734480D+01  0.276503D+01
                91            92            93            94            95 
      1   0.386280D+02  0.165133D+02 -0.270247D+01  0.633784D+01  0.512813D+01
      2  -0.138610D+02 -0.346701D+01  0.287082D+00  0.102400D+01  0.258887D+01
      3  -0.247670D+02 -0.130462D+02  0.241539D+01 -0.736184D+01 -0.771700D+01
      4   0.304464D+02  0.210700D+02 -0.134580D+01  0.136765D+02  0.134832D+02
      5   0.190818D+01  0.138736D+01  0.520537D+01  0.389436D+00  0.727051D+00
      6  -0.122488D+01  0.204218D+00  0.259964D+01  0.322552D+00  0.281550D+00
                96            97            98            99           100 
      1  -0.530414D+00 -0.105899D+02 -0.508281D+01  0.342311D+01 -0.206328D+01
      2  -0.317998D+00  0.333662D+01  0.319269D+00 -0.145919D+01  0.522664D+01
      3   0.848413D+00  0.725327D+01  0.476354D+01 -0.196391D+01 -0.316336D+01
      4  -0.756828D+00 -0.100910D+02 -0.749259D+01  0.464119D+01 -0.543285D+01
      5   0.196299D+01  0.595260D+01  0.321781D+01 -0.209784D+01  0.286777D+01
      6   0.192271D+01  0.362452D+01  0.287309D+01 -0.168255D+01 -0.594350D+01
               101           102           103           104           105 
      1   0.803551D+01 -0.375322D+01  0.606641D+01 -0.150955D+02  0.651053D+01
      2  -0.124342D+02  0.457567D+01 -0.990895D+01  0.238459D+02 -0.884823D+01
      3   0.439873D+01 -0.822443D+00  0.384254D+01 -0.875041D+01  0.233770D+01
      4   0.104211D+02 -0.494210D+01  0.928138D+01 -0.106277D+02  0.501398D+01
      5  -0.322490D+01  0.389921D+01 -0.205476D+01  0.350182D+01 -0.199980D+01
      6   0.920211D+01 -0.776462D+01  0.729087D+01 -0.143220D+02  0.105517D+02
               106           107           108           109           110 
      1  -0.489631D+01  0.981073D+01 -0.857069D+01 -0.114695D+01  0.246986D+01
      2   0.539480D+01 -0.113404D+02  0.650222D+01  0.171457D+01 -0.389489D+01
      3  -0.498485D+00  0.152969D+01  0.206847D+01 -0.567622D+00  0.142504D+01
      4  -0.626910D+01  0.676383D+01 -0.595850D+01  0.224395D-01  0.315040D+01
      5   0.364316D+01 -0.321316D+01  0.332301D+01 -0.135907D+01 -0.260250D+00
      6  -0.793133D+01  0.145672D+02 -0.126158D+02  0.102026D+01 -0.217125D+01
               111           112           113           114           115 
      1   0.118511D+01  0.111268D+01 -0.539632D+01 -0.299257D+01  0.713826D+00
      2  -0.186489D+01 -0.181499D+01  0.800814D+01  0.440780D+01 -0.168710D+01
      3   0.679784D+00  0.702301D+00 -0.261182D+01 -0.141523D+01  0.973276D+00
      4   0.713838D+00  0.347699D+01 -0.220881D+01 -0.184559D+01  0.389706D+01
      5   0.153727D+01 -0.460734D-01 -0.563728D+00 -0.193514D+00  0.425438D+00
      6  -0.407986D+01 -0.207630D+01  0.457090D+01  0.756638D+01 -0.412320D+01
               116           117           118           119           120 
      1  -0.744105D+01 -0.705930D+01  0.359136D+01  0.263937D+01  0.167885D+01
      2   0.991535D+01  0.472128D+01 -0.361888D+01 -0.199165D+01 -0.321922D+01
      3  -0.247431D+01  0.233802D+01  0.275240D-01 -0.647716D+00  0.154037D+01
      4  -0.258815D+01 -0.380544D+01  0.472730D+01  0.815399D+01  0.170182D+01
      5  -0.908381D+00 -0.279722D+00  0.669841D+01  0.441430D+01  0.786102D+01
      6   0.807797D+01  0.182718D+02  0.259041D+01  0.669667D+01  0.230511D+01
               121           122           123           124           125 
      1   0.445518D+01 -0.177262D+01 -0.407900D+01  0.742153D+00 -0.241948D+01
      2  -0.378164D+01  0.790875D+00 -0.523561D+01 -0.181063D+01 -0.214609D+01
      3  -0.673536D+00  0.981741D+00  0.931461D+01  0.106848D+01  0.456558D+01
      4   0.797414D+01  0.151889D+02  0.720077D+01  0.873790D+00  0.427895D+01
      5   0.800644D+01  0.114495D+02  0.100105D+02  0.551554D+01  0.471551D+01
      6   0.697083D+01  0.184222D+02  0.104565D+02  0.217587D+01  0.909989D+01
               126           127           128           129           130 
      1  -0.274129D+01 -0.964363D+01 -0.384941D+01  0.138893D+02 -0.266482D+01
      2  -0.238470D+01 -0.896726D+00  0.141931D+01  0.380958D+01  0.138991D+01
      3   0.512599D+01  0.105404D+02  0.243010D+01 -0.176989D+02  0.127492D+01
      4   0.361611D+01  0.431279D+01  0.264258D+01 -0.313477D+01  0.370939D+01
      5   0.465065D+01 -0.123634D+02 -0.279481D+01  0.596495D+01 -0.281717D+01
      6   0.501785D+01 -0.564954D+01 -0.476606D+01  0.575931D+01 -0.249863D+01
               131           132           133           134           135 
      1  -0.316557D+01  0.290359D+01  0.966707D+01  0.271091D+01 -0.125730D+02
      2   0.877272D+00 -0.417157D+00  0.217247D+01 -0.303183D+00 -0.540701D+01
      3   0.228830D+01 -0.248643D+01 -0.118395D+02 -0.240773D+01  0.179800D+02
      4   0.127702D+01  0.720045D+00 -0.222181D+01  0.312352D+00  0.172204D+01
      5   0.579292D+00  0.198310D+00  0.889117D+01  0.778046D+00 -0.490874D+01
      6  -0.246193D+01  0.615955D+01  0.324612D+01  0.570048D+01 -0.502700D+01
               136           137           138           139           140 
      1   0.114880D+02 -0.402178D+01  0.244732D+01 -0.529145D+01 -0.146643D+01
      2  -0.864145D+01  0.130763D+01 -0.664097D+01  0.188698D+01  0.406257D+01
      3  -0.284651D+01  0.271415D+01  0.419364D+01  0.340447D+01 -0.259613D+01
      4  -0.139363D+02  0.132792D+02 -0.811083D+01  0.142220D+02 -0.146702D+02
      5   0.194736D+02 -0.114621D+02  0.171271D+02 -0.133231D+02  0.132337D+02
      6  -0.105636D+02  0.112606D+02 -0.863070D+01  0.108500D+02 -0.146620D+02
               141           142           143           144           145 
      1   0.311813D+01  0.203987D+01  0.216529D+01 -0.235371D+01  0.787510D+00
      2   0.236024D+01 -0.500534D+01  0.177229D+01 -0.562307D+01 -0.232746D+01
      3  -0.547837D+01  0.296546D+01 -0.393758D+01  0.797678D+01  0.153995D+01
      4   0.939019D+01 -0.546102D+01  0.613075D+01 -0.732393D+01 -0.160782D+01
      5  -0.124256D+02  0.129831D+02 -0.844071D+01  0.125967D+02 -0.227822D+01
      6   0.132935D+02 -0.654879D+01  0.994879D+01 -0.979286D+01  0.130232D+01
               146           147           148           149           150 
      1  -0.202125D+01 -0.438120D+01 -0.315716D+01 -0.138097D+00 -0.316217D+01
      2   0.891107D+00  0.205931D+01  0.142808D+01 -0.545728D+00 -0.204780D+00
      3   0.113014D+01  0.232189D+01  0.172908D+01  0.683825D+00  0.336695D+01
      4   0.275250D+01  0.583351D+00  0.535189D+01 -0.175542D+01 -0.488739D+01
      5   0.558343D+00  0.517425D+01  0.197079D+01 -0.455394D+01 -0.623059D+01
      6   0.195565D+00  0.601652D+00 -0.146320D+01  0.329680D+01  0.793145D+01
               151           152           153           154           155 
      1  -0.728363D+01 -0.291577D+01 -0.148836D+02  0.114655D+02  0.783341D+01
      2   0.738693D+01 -0.204931D+00 -0.182341D+02 -0.299983D+01 -0.295741D+01
      3  -0.103295D+00  0.312070D+01  0.331176D+02 -0.846567D+01 -0.487600D+01
      4   0.208215D+01 -0.652564D+01 -0.635938D+01  0.804997D+01  0.142358D+02
      5   0.143941D+02 -0.585050D+01 -0.438983D+02  0.123646D+00 -0.154215D+01
      6  -0.250782D+01  0.833508D+01  0.124721D+02 -0.174833D+01 -0.265465D+01
               156           157           158           159           160 
      1   0.172703D+01  0.178937D+02  0.107411D+02 -0.951527D+00  0.559705D+01
      2  -0.460968D+00 -0.768470D+01  0.146203D+01  0.166694D+01 -0.205045D+01
      3  -0.126606D+01 -0.102090D+02 -0.122032D+02 -0.715416D+00 -0.354660D+01
      4  -0.522965D+00  0.172227D+02  0.309642D+02  0.151528D+00  0.392674D+00
      5   0.253721D+01 -0.429981D+01 -0.276388D+00  0.770744D+01  0.326517D+01
      6   0.646468D+00 -0.239458D+01 -0.714790D+01  0.225613D+01  0.106686D+01
               161           162           163           164           165 
      1   0.355122D+00 -0.485917D+00  0.456720D+02 -0.168974D+02  0.717130D+01
      2   0.250895D+00 -0.136806D+01 -0.175230D+02  0.393629D+01 -0.224980D+01
      3  -0.606017D+00  0.185397D+01 -0.281490D+02  0.129611D+02 -0.492150D+01
      4   0.284282D+01  0.298998D+01 -0.251884D+02  0.198121D+02 -0.380908D+01
      5   0.356678D+01 -0.204313D+01  0.307506D+01 -0.150822D+01  0.787014D+01
      6   0.267808D+01  0.880461D+00  0.105696D+01 -0.193377D+01 -0.144471D+01
               166           167           168           169           170 
      1  -0.243897D+02  0.131713D+02 -0.266795D+01  0.169013D+02 -0.512406D+01
      2   0.669233D+01  0.135199D+01 -0.959624D+00 -0.645534D+01  0.109489D+00
      3   0.176974D+02 -0.145233D+02  0.362758D+01 -0.104460D+02  0.501457D+01
      4   0.245155D+02 -0.195655D+02  0.403834D+01 -0.915480D+01  0.805634D+01
      5  -0.713321D+00  0.219348D+01 -0.776577D+01  0.788398D+01 -0.539815D+01
      6  -0.154266D+01  0.408285D+00  0.304698D+01 -0.179562D+01  0.206027D+01
               171 
      1   0.387256D+01
      2  -0.295649D+01
      3  -0.916074D+00
      4  -0.606255D+01
      5   0.400240D+01
      6  -0.110382D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x         -0.109423D+00     -0.278125D+00     -0.927727D+00
   y         -0.400662D+00     -0.101838D+01     -0.339695D+01
   z         -0.320379D+00     -0.814323D+00     -0.271629D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.817942D+02      0.121206D+02      0.134860D+02
   yx         0.244032D-01      0.361618D-02      0.402354D-02
   yy         0.723062D+02      0.107147D+02      0.119217D+02
   zx        -0.239604D+01     -0.355056D+00     -0.395053D+00
   zy         0.178837D+01      0.265008D+00      0.294862D+00
   zz         0.698362D+02      0.103487D+02      0.115144D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.799207D+02      0.118430D+02      0.131771D+02
   aniso      0.134333D+02      0.199061D+01      0.221485D+01
   xx         0.878449D+02      0.130173D+02      0.144837D+02
   yx         0.337659D+00      0.500360D-01      0.556725D-01
   yy         0.773187D+02      0.114575D+02      0.127481D+02
   zx        -0.275121D+01     -0.407687D+00     -0.453613D+00
   zy         0.187703D+01      0.278147D+00      0.309480D+00
   zz         0.745984D+02      0.110543D+02      0.122996D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75026756         -0.15711797          0.31957025
     6          2.06418631          0.89413164          0.39051010
     6          0.11826952         -1.28759041          0.16235884
     6         -2.51772105         -0.30220051          0.77124117
     8         -2.79069695          0.24622394          3.25369674
     6          1.67001352          2.90368611         -1.64793261
     7          0.25115471         -2.51757682         -2.28856770
     8         -4.19161699          0.00838864         -0.73831367
     1          0.59189640         -2.67339358          1.61746430
     1          1.75053970          1.76689693          2.23637957
     1         -4.48525778          0.90975516          3.47799657
     1         -0.59378164         -4.23279565         -2.21981709
     1         -0.72782771         -1.49413257         -3.57957482
     1          2.03779575          2.12856072         -3.52402665
     1         -0.24790244          3.66383769         -1.63142045
     1          2.97318834          4.47510241         -1.35961371
     1          5.07458207         -1.48308483          1.86776534
     1          5.08910123         -1.14870337         -1.45391453
     1          6.12800392          1.36863401          0.49120195

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524544D+00      0.133326D+01      0.444727D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.822227D+02      0.121842D+02      0.135567D+02
   yx        -0.337069D+00     -0.499485D-01     -0.555752D-01
   yy         0.688503D+02      0.102026D+02      0.113519D+02
   zx        -0.545479D+00     -0.808316D-01     -0.899373D-01
   zy         0.113777D+01      0.168600D+00      0.187592D+00
   zz         0.728635D+02      0.107973D+02      0.120136D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.799207D+02      0.118430D+02      0.131771D+02
   aniso      0.134333D+02      0.199061D+01      0.221485D+01
   xx         0.882947D+02      0.130839D+02      0.145578D+02
   yx        -0.646263D+00     -0.957663D-01     -0.106554D+00
   yy         0.735474D+02      0.108986D+02      0.121263D+02
   zx        -0.799332D+00     -0.118449D+00     -0.131792D+00
   zy         0.131197D+01      0.194414D+00      0.216315D+00
   zz         0.779199D+02      0.115465D+02      0.128473D+02

 ----------------------------------------------------------------------
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 CHARLIE BROWN -- WHICH DO YOU THINK LASTS LONGER IN LIFE, THE GOOD THINGS 
                  OR THE BAD THINGS?
 LINUS --         GOOD THINGS LAST EIGHT SECONDS ..
                  BAD THINGS LAST THREE WEEKS
 CHARLIE BROWN -- WHAT ABOUT IN BETWEEN?
 SNOOPY --        IN BETWEEN YOU SHOULD TAKE A NAP ...
 Job cpu time:       0 days  5 hours 57 minutes 59.7 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 55.7 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:52:36 2021.
